Fully protonated B-type hexa­molybdoplatinate [H6PtMo6O24]2− and its adduct formation with [Pt(OH)6]2−

Ozeki, T.; Yagasaki, A.

doi:10.1107/S2414314617017527

metal-organic compounds

IUCrDATA

ISSN: 2414-3146

Volume 2| Part 12| December 2017| x171752

https://doi.org/10.1107/S2414314617017527

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Fully protonated B-type hexamolybdoplatinate [H₆PtMo₆O₂₄]²⁻ and its adduct formation with [Pt(OH)₆]²⁻

Tomoji Ozeki ^a and Atsushi Yagasaki ^b ^*

^aCollege of Humanities and Sciences, Nihon University, 3-25-40 Sakurajosui, Setagaya-ku, Tokyo 156-8550, Japan, and ^bSchool of Science, Kwansei Gakuin University, 2-1 Gakuen, Sanda 669-1337, Japan
^*Correspondence e-mail: yagasaki@kwansei.ac.jp

Edited by A. J. Lough, University of Toronto, Canada (Received 28 November 2017; accepted 7 December 2017; online 12 December 2017)

The crystral structure of tris(tetra-n-butylammonium) hydrogen hexahydroxidoplatinate(IV) [hexahydrogen α-hexamolybdoplatinate(IV)] pentadecahydrate, (C₁₆H₃₆N)₃H[Pt(OH)₆][H₆PtMo₆O₂₄]·15H₂O, was determined. The structural analysis revealed that all six triply-bridging O atoms of the hexamolybdoplatinate(IV) anion are protonated, making it formally the B-type Anderson anion [H₆PtMo₆O₂₄]²⁻. The [H₆PtMo₆O₂₄]²⁻ anions connect with the [Pt(OH)₆]²⁻ anions through strong hydrogen bonds (O⋯O = 2.45–2.62 Å) to form a linear polymer in the crystal.

Keywords: crystal structure; molybdoplatinate; Anderson structure; molecular oxide; hydrogen-bonded polymer.

CCDC reference: 1589649

Structure description

Anderson anions, where an octahedral XO₆ unit is surrounded by a planar M₆O₁₈ ring, have traditionally been divided into two groups (Blazevic & Rompel, 2016 ). In type A, none of the O atoms in the structure is protonated. In type B, on the other hand, all six triply bridging μ₃-O atoms are protonated. However, the discovery of [H_4.5PtMo₆O₂₄]^3.5− (Lee & Sasaki, 1984 ) and [H₃PtW₆O₂₄]⁵⁻ (Lee et al., 1983 ), together with a report of protonated [IMo₆O₂₄]⁵⁻ (Honda et al., 2007 ), which is considered typical type A Anderson anion, rendered this distinction blurred, if not meaningless. Many different Anderson-type molybdoplatinates of different degrees of protonation have been reported since the initial discovery of Lee and Sasaki (Lee & Sasaki, 1987 , 1994 ; Lee, 1988 , 1994 ; Lee & Joo, 2000 , 2004 , 2006a ,b , 2007 , 2010 ; Day et al., 2009 ; Joo et al., 2015a ,b ). Curiously, fully protonated [H₆PtMo₆O₂₄]²⁻, where protons are attached to all six μ₃-O atoms, has not been reported with all those efforts. Formation of anions with the formula [H₆PtMo₆O₂₄]²⁻ was observed in four occasions, but only four out of six μ₃-O atoms are protonated in all of them (Lee, 1994; Lee & Joo, 2006a,b, 2010).

Tris(tetra-n-butylammonium) hydrogen hexahydroxoplatinate(IV) [hexahydrogen α-hexamolybdoplatinate(IV)] pentadecahydrate crystallizes in the space group C2/c. X-ray structural analysis revealed the existence of [H₆PtMo₆O₂₄]²⁻ and [Pt(OH)₆]²⁻ anions, which form a hydrogen-bonded adduct (see below) in the crystal. There are two crystallographically independent [H₆PtMo₆O₂₄]²⁻ anions in the crystal. They are depicted in Fig. 1. One of them (anion A) is centrosymmetric and the other (anion B) has a twofold symmetry. No significant structural difference other than the crystallographic symmetry is observed between these two anions. All six μ₃-O atoms that bridge the central Pt atom of the Anderson anion with the Mo atoms are protonated, and all bonds between Mo and μ₃-O atoms are anomaluosly long (Table 1). The current [H₆PtMo₆O₂₄]²⁻ anion is the first example of hexamolybdoplatinate in which all six μ₃-O atoms are protonated.

Table 1
Selected bond lengths (Å)

Pt1—O3	1.993 (2)	Pt2—O14	2.005 (2)
Pt1—O3ⁱ	1.993 (2)	Mo4—O19	1.711 (3)
Pt1—O2ⁱ	1.995 (2)	Mo4—O16	1.944 (2)
Pt1—O2	1.995 (2)	Mo4—O13	2.300 (2)
Pt1—O1	2.002 (2)	Mo5—O20	1.705 (2)
Pt1—O1ⁱ	2.002 (2)	Mo5—O21	1.717 (2)
Mo1—O8	1.711 (2)	Mo5—O16	1.932 (2)
Mo1—O7	1.716 (2)	Mo5—O17	1.949 (2)
Mo1—O4	1.937 (2)	Mo5—O13ⁱⁱ	2.272 (2)
Mo1—O5	1.948 (2)	Mo5—O14	2.327 (2)
Mo1—O2ⁱ	2.261 (2)	Mo6—O23	1.699 (2)
Mo1—O1	2.310 (2)	Mo6—O22	1.721 (2)
Mo2—O9	1.704 (2)	Mo6—O17	1.930 (2)
Mo2—O10	1.711 (2)	Mo6—O18	1.947 (2)
Mo2—O5	1.940 (2)	Mo6—O15ⁱⁱ	2.252 (2)
Mo2—O6	1.952 (2)	Mo6—O14	2.354 (2)
Mo2—O2ⁱ	2.238 (2)	Mo7—O24	1.716 (2)
Mo2—O3	2.342 (2)	Mo7—O18	1.952 (2)
Mo3—O11	1.714 (2)	Mo7—O15	2.273 (2)
Mo3—O12	1.714 (2)	Pt3—O27	1.995 (2)
Mo3—O6	1.916 (2)	Pt3—O29	1.996 (2)
Mo3—O4ⁱ	1.945 (2)	Pt3—O28	1.998 (2)
Mo3—O1ⁱ	2.287 (2)	Pt3—O25	1.999 (2)
Mo3—O3	2.317 (2)	Pt3—O26	2.000 (2)
Pt2—O15	1.999 (2)	Pt3—O30	2.010 (2)
Pt2—O13	2.000 (2)
Symmetry codes: (i) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z]$ ; (ii) $[-x, y, -z+{\script{1\over 2}}]$ .

Figure 1
The structures of (a) anion A and (b) anion B with the atom labelling and displacement ellipsoids at the 50% probability level. [Symmetry codes: (i) −x + $[{1\over 2}]$ , −y + $[{1\over 2}]$ , −z; (ii) −x, y, −z + $[{1\over 2}]$ .]

There are [Pt(OH)₆]²⁻ anions in addition to the [H₆PtMo₆O₂₄]²⁻ anions, and they form a hydrogen-bonded polymer in the crystal (Fig. 2). The hydrogen bonds that hold the polymer together are relatively strong, with O⋯O distances in the range 2.45–2.62 Å (av. 2.53 Å, see also Table 2). Polymer formation by X(OH)₆ and XMo₆O₂₄ units through hydrogen bonding is also known for [{Te(OH)₆}(TeMo₆O₂₄)]⁶⁻ (Evans, 1974 ). However, the hydrogen bonds are weaker in this Te complex, with O⋯O distances in the range 2.59–2.62 Å (av. 2.61 Å). In addition, only four of the six μ₃-O atoms of the [TeMo₆O₂₄]⁶⁻ anion are hydrogen bonded to the Te(OH)₆ unit. Two OH groups of the Te(OH)₆ unit are hydrogen bonded to doubly bridging μ₂-O atoms of the Anderson anion. In the current Pt compound, on the other hand, all six μ₃-O atoms (and no μ₂-O atoms) of the Anderson anion are involved in hydrogen bonding with the [Pt(OH)₆]²⁻ anion.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯O25	0.82 (2)	1.71 (2)	2.532 (3)	179 (4)
O2—H2⋯O26	0.83 (2)	1.62 (2)	2.446 (3)	171 (4)
O3—H3⋯O27	0.83 (2)	1.78 (2)	2.605 (3)	174 (4)
O13—H13⋯O28	0.81 (2)	1.67 (2)	2.474 (3)	174 (4)
O14—H14⋯O29	0.81 (2)	1.82 (2)	2.615 (3)	169 (4)
O15—H15⋯O30	0.81 (2)	1.70 (2)	2.506 (3)	176 (4)
O25—H25⋯O31	0.81 (2)	1.96 (2)	2.768 (4)	177 (4)
O26—H26⋯O32	0.81 (2)	2.01 (2)	2.786 (4)	163 (4)
O27—H27⋯O35	0.80 (2)	2.34 (3)	3.078 (4)	154 (4)
O28—H28⋯O34	0.81 (2)	2.17 (2)	2.972 (3)	175 (4)
O29—H29⋯O35	0.81 (2)	2.04 (2)	2.853 (4)	174 (4)
O30—H30⋯O36	0.81 (2)	2.03 (2)	2.830 (4)	172 (4)

Figure 2
The hydrogen-bonded polymer formed by [H₆PtMo₆O₂₄]²⁻ and [Pt(OH)₆]²⁻ anions. [Symmetry codes: (i) −x + $[{1\over 2}]$ , −y + $[{1\over 2}]$ , −z; (ii) −x, y, −z + $[{1\over 2}]$ ; (iii) x − $[{1\over 2}]$ , −y + $[{1\over 2}]$ , z + $[{1\over 2}]$ ; (iv) −x − $[{1\over 2}]$ , −y + $[{1\over 2}]$ , −z + 1; (v) x − 1, y, z + 1.]

Synthesis and crystallization

To a solution of H₂Pt(OH)₆ (0.85 g, 2.8 mmol) in 15.9 ml of aqueous 0.40 M (n-C₄H₉)₄NOH (6.4 mmol) was added 2.45 g (15.1 mmol) of H₂MoO₄. The mixture was stirred for 24 h, after which time the solid left undissolved was removed by filtration. Pale-yellow crystals started to form after allowing the filtrate to stand for several weeks.

Refinement

Crystal data, data collection and structure refinement details are summarized in Table 3.

Table 3
Experimental details

Crystal data
Chemical formula	(C₁₆H₃₆N)₃H[Pt(OH)₆][H₆PtMo₆O₂₄]·15H₂O
M_r	2456.53
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	123
a, b, c (Å)	25.2749 (3), 27.2438 (3), 25.6038 (4)
β (°)	94.1516 (13)
V (Å³)	17584.1 (4)
Z	8
Radiation type	Mo Kα
μ (mm⁻¹)	4.08
Crystal size (mm)	0.18 × 0.08 × 0.08

Data collection
Diffractometer	Rigaku VariMax Saturn724R
Absorption correction	Multi-scan (CrysAlis PRO; Rigaku OD, 2015 $[Rigaku OD (2015). CrysAlis PRO. Rigaku Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]$ )
T_min, T_max	0.833, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections	107516, 24393, 20469
R_int	0.029
(sin θ/λ)_max (Å⁻¹)	0.719

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.030, 0.066, 1.08
No. of reflections	24393
No. of parameters	1056
No. of restraints	47
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
	w = 1/[σ²(F_o²) + (0.0211P)² + 98.3848P] where P = (F_o² + 2F_c²)/3
Δρ_max, Δρ_min (e Å⁻³)	1.06, −1.14
Computer programs: CrystalClear (Molecular Structure Corporation, 2001 ), CrysAlis PRO (Rigaku OD, 2015 $[Rigaku OD (2015). CrysAlis PRO. Rigaku Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]$ ), SHELXT2014 (Sheldrick, 2015a ) and SHELXL2016 (Sheldrick, 2015b ).

Structural data

CCDC reference: 1589649

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S2414314617017527/lh4029sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2414314617017527/lh4029Isup2.hkl

checkCIF report

Computing details top

Data collection: CrystalClear (Molecular Structure Corporation, 2001); cell refinement: CrysAlis PRO (Rigaku OD, 2015); data reduction: CrysAlis PRO (Rigaku OD, 2015); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2016 (Sheldrick, 2015b); molecular graphics: SHELXL2016 (Sheldrick, 2015b); software used to prepare material for publication: SHELXL2016 (Sheldrick, 2015b).

Tris(tetra-n-butylammonium) hydrogen hexahydroxidoplatinate(IV) [hexahydrogen α-hexamolybdoplatinate(IV)] pentadecahydrate top

Crystal data top

(C₁₆H₃₆N)₃H[Pt(OH)₆][H₆PtMo₆O₂₄]·15H₂O	F(000) = 9824
M_r = 2456.53	D_x = 1.856 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 25.2749 (3) Å	Cell parameters from 37457 reflections
b = 27.2438 (3) Å	θ = 2.9–30.8°
c = 25.6038 (4) Å	µ = 4.08 mm⁻¹
β = 94.1516 (13)°	T = 123 K
V = 17584.1 (4) Å³	Block, translucent pale yellow
Z = 8	0.18 × 0.08 × 0.08 mm

Data collection top

Rigaku VariMax Saturn724R diffractometer	20469 reflections with I > 2σ(I)
Radiation source: fine-focus rotating anode generator with focusing mirror	R_int = 0.029
oscillation method, ω scans	θ_max = 30.7°, θ_min = 2.5°
Absorption correction: multi-scan (CrysAlis PRO; Rigaku OD, 2015)	h = −32→34
T_min = 0.833, T_max = 1.000	k = −36→39
107516 measured reflections	l = −34→32
24393 independent reflections

Refinement top

Refinement on F²	47 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F² > 2σ(F²)] = 0.030	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.066	w = 1/[σ²(F_o²) + (0.0211P)² + 98.3848P] where P = (F_o² + 2F_c²)/3
S = 1.08	(Δ/σ)_max = 0.002
24393 reflections	Δρ_max = 1.06 e Å⁻³
1056 parameters	Δρ_min = −1.14 e Å⁻³

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Hydrogen atom positions of the tetrabutylammonium cations were calculated and refined by using AFIX 23 and AFIX 33 of SHELXL. Hydrogen atoms of [H₆PtMo₆O₂₄]^2- and [Pt(OH)₆]^2- were located from the difference Fourier syntheses. Their positional parameters were refined with the restraint that O-H distances to be 0.82 Å and their isotropic displacement parameters were fixed to 1.5 times the equivalent isotropic displacement parameters to the oxygen atoms to which they attach. The hydrogen atoms of the water molecules of crystallization and the proton that is required by the charge neutrality condition were not located, the situation of which is frequently observed in polyoxometalate crystals. The tetrabutylammonium cation labeled as N1 and C1–C16 is disordered over three groups. The second most dominant group, labeled as N1B and C1B-C16B differs from the most dominant group (N1A, C1A-C16A) only at one terminal methyl group, labeled as C12B (and, consequently, hydrogen atoms on C11 and C12); and the other N and C atoms are at the same positions as those of the most dominant group (N1A, C1A-C16B). Due to the restriction of the SHELX PART command that do not allow nesting of disorder groups, N1B, C1B-C11B and C13B-C16B were given independent labels and their atomic parameters were fixed to those of N1A, C1A–C11A and C13A–C16B by using SHELX EXYZ and EADP commands. The least dominant group (N1C, C1C–C16C) is severely overlapped over the other groups and therefore DFIX and DANG restraints were applied to establish stable refinement. Another disorder is observed at the gamma C atom (C47A and C47B) of another tetrabutylammonium cation (N3 and C33-C48). The disorder of the corresponding terminal (or delta) C atom (C48) was not resolved. This unresolved disorder may account for somewhat large Hirshfeld difference between C47A and C48, to which an Alert level C was issued. Isotropic displacement parameters were applied to non-dominant components of the disordered atoms. Other non-hydrogen atoms were refined with anisotropic displacement parameters.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Pt1	0.250000	0.250000	0.000000	0.01126 (3)
Mo1	0.30209 (2)	0.35811 (2)	0.03903 (2)	0.01476 (5)
Mo2	0.35688 (2)	0.25448 (2)	0.08500 (2)	0.01477 (5)
Mo3	0.30692 (2)	0.14552 (2)	0.04487 (2)	0.01522 (5)
O1	0.22442 (9)	0.31330 (8)	0.02882 (8)	0.0148 (4)
H1	0.2072 (14)	0.3127 (14)	0.0548 (11)	0.022*
O2	0.17925 (8)	0.21732 (8)	−0.00840 (8)	0.0147 (4)
H2	0.1612 (14)	0.2231 (14)	0.0168 (11)	0.022*
O3	0.27228 (8)	0.22017 (8)	0.06920 (8)	0.0144 (4)
H3	0.2480 (12)	0.2193 (14)	0.0891 (13)	0.022*
O4	0.26768 (9)	0.37022 (8)	−0.02986 (9)	0.0169 (4)
O5	0.31931 (9)	0.31479 (8)	0.09835 (9)	0.0169 (4)
O6	0.36223 (8)	0.19366 (8)	0.04546 (9)	0.0167 (4)
O7	0.27346 (10)	0.40292 (8)	0.07473 (9)	0.0231 (5)
O8	0.36341 (9)	0.37985 (8)	0.02650 (9)	0.0212 (5)
O9	0.41923 (9)	0.27585 (9)	0.07744 (10)	0.0221 (5)
O10	0.35704 (10)	0.23143 (9)	0.14718 (9)	0.0229 (5)
O11	0.31154 (9)	0.12676 (8)	0.10892 (9)	0.0224 (5)
O12	0.33582 (10)	0.09983 (8)	0.01080 (10)	0.0241 (5)
Pt2	0.000000	0.25869 (2)	0.250000	0.01291 (4)
Mo4	0.000000	0.38261 (2)	0.250000	0.01960 (8)
Mo5	0.07638 (2)	0.32171 (2)	0.33960 (2)	0.01753 (6)
Mo6	0.07480 (2)	0.19698 (2)	0.34103 (2)	0.01783 (6)
Mo7	0.000000	0.13593 (2)	0.250000	0.01688 (8)
O13	0.00693 (9)	0.31364 (8)	0.19916 (9)	0.0156 (4)
H13	0.0279 (13)	0.3086 (14)	0.1774 (13)	0.023*
O14	0.07632 (9)	0.25934 (8)	0.27752 (9)	0.0158 (4)
H14	0.0961 (14)	0.2615 (14)	0.2544 (12)	0.024*
O15	0.00708 (8)	0.20373 (8)	0.19927 (8)	0.0148 (4)
H15	0.0353 (10)	0.2021 (14)	0.1863 (14)	0.022*
O16	0.07042 (9)	0.36452 (8)	0.27933 (9)	0.0196 (5)
O17	0.05929 (9)	0.25949 (8)	0.37196 (9)	0.0186 (5)
O18	0.07045 (9)	0.15308 (8)	0.28086 (9)	0.0192 (5)
O19	0.01990 (11)	0.41979 (9)	0.20125 (11)	0.0308 (6)
O20	0.05472 (10)	0.35931 (9)	0.38680 (10)	0.0271 (5)
O21	0.14433 (10)	0.32146 (9)	0.34866 (10)	0.0265 (5)
O22	0.14299 (10)	0.19649 (9)	0.34908 (10)	0.0269 (5)
O23	0.05383 (11)	0.16022 (9)	0.38897 (10)	0.0277 (5)
O24	0.02094 (10)	0.09821 (9)	0.20196 (10)	0.0256 (5)
Pt3	0.13345 (2)	0.25409 (2)	0.13410 (2)	0.01389 (3)
O25	0.17155 (9)	0.31295 (8)	0.10913 (9)	0.0193 (5)
H25	0.1964 (12)	0.3168 (15)	0.1307 (13)	0.029*
O26	0.11828 (9)	0.23409 (8)	0.05937 (9)	0.0178 (4)
H26	0.0987 (14)	0.2108 (11)	0.0560 (16)	0.027*
O27	0.20026 (9)	0.21491 (9)	0.13677 (9)	0.0194 (5)
H27	0.2204 (14)	0.2187 (16)	0.1619 (11)	0.029*
O28	0.06650 (9)	0.29332 (9)	0.12972 (9)	0.0190 (5)
H28	0.0472 (14)	0.2805 (14)	0.1071 (13)	0.029*
O29	0.14513 (9)	0.27650 (9)	0.20825 (9)	0.0188 (5)
H29	0.1711 (12)	0.2629 (14)	0.2220 (16)	0.028*
O30	0.09301 (9)	0.19532 (8)	0.15704 (9)	0.0193 (5)
H30	0.1101 (15)	0.1823 (14)	0.1810 (12)	0.029*
O31	0.25841 (10)	0.32422 (10)	0.18036 (10)	0.0309 (6)
O32	0.04578 (12)	0.16150 (11)	0.02630 (13)	0.0419 (7)
O33	0.17865 (10)	0.11520 (9)	0.11516 (10)	0.0276 (5)
O34	−0.00400 (10)	0.25222 (9)	0.04254 (10)	0.0263 (5)
O35	0.24133 (12)	0.23304 (12)	0.25127 (13)	0.0462 (8)
O36	0.16174 (10)	0.15151 (10)	0.23588 (10)	0.0292 (6)
O37	0.14510 (12)	0.38033 (10)	0.20602 (12)	0.0396 (7)
O38	0.0823 (2)	0.39092 (15)	0.09682 (18)	0.0826 (14)
O39	0.04806 (11)	0.33497 (11)	0.00474 (12)	0.0385 (7)
O40	0.07003 (12)	0.09220 (14)	0.10122 (14)	0.0535 (9)
O41	0.31430 (13)	0.16703 (12)	0.22367 (12)	0.0452 (8)
O42	0.24120 (12)	0.08789 (11)	0.20585 (12)	0.0398 (7)
O43	0.21516 (15)	0.44421 (12)	0.15548 (15)	0.0582 (10)
O44	0.23310 (12)	0.25627 (11)	0.35535 (14)	0.0466 (8)
O45	0.14619 (17)	0.47164 (13)	0.06749 (15)	0.0633 (11)
N1A	0.58609 (17)	0.22036 (16)	0.10264 (18)	0.0320 (9)	0.545 (3)
C1A	0.6179 (2)	0.2327 (2)	0.1531 (2)	0.0297 (11)	0.545 (3)
H1A	0.654351	0.241473	0.144880	0.036*	0.545 (3)
H1B	0.620247	0.202954	0.175392	0.036*	0.545 (3)
C2A	0.5953 (3)	0.2744 (3)	0.1840 (3)	0.0414 (18)	0.545 (3)
H2A	0.560434	0.264517	0.195895	0.050*	0.545 (3)
H2B	0.589885	0.303531	0.161212	0.050*	0.545 (3)
C3A	0.6332 (2)	0.28756 (19)	0.23203 (19)	0.0329 (11)	0.545 (3)
H3A	0.636886	0.259005	0.255933	0.039*	0.545 (3)
H3B	0.668774	0.295351	0.220326	0.039*	0.545 (3)
C4A	0.6126 (2)	0.3311 (2)	0.2610 (2)	0.0462 (15)	0.545 (3)
H4A	0.637223	0.338773	0.291184	0.069*	0.545 (3)
H4B	0.609521	0.359467	0.237455	0.069*	0.545 (3)
H4C	0.577674	0.323168	0.273017	0.069*	0.545 (3)
C5A	0.6136 (2)	0.1772 (2)	0.0794 (2)	0.0391 (13)	0.545 (3)
H5A	0.615163	0.150143	0.105258	0.047*	0.545 (3)
H5B	0.650540	0.186893	0.073972	0.047*	0.545 (3)
C6A	0.5882 (2)	0.1579 (2)	0.0281 (2)	0.0456 (15)	0.545 (3)
H6A	0.579474	0.185652	0.004034	0.055*	0.545 (3)
H6B	0.554880	0.140541	0.034425	0.055*	0.545 (3)
C7A	0.6269 (3)	0.1223 (2)	0.0029 (3)	0.052 (2)	0.545 (3)
H7A	0.639674	0.097544	0.029235	0.063*	0.545 (3)
H7B	0.607590	0.104724	−0.026452	0.063*	0.545 (3)
C8A	0.6730 (3)	0.1480 (3)	−0.0167 (3)	0.062 (2)	0.545 (3)
H8A	0.696272	0.124130	−0.032226	0.093*	0.545 (3)
H8B	0.660639	0.172079	−0.043303	0.093*	0.545 (3)
H8C	0.692721	0.164900	0.012381	0.093*	0.545 (3)
C9A	0.5291 (2)	0.2075 (2)	0.1130 (3)	0.0421 (14)	0.545 (3)
H9A	0.511491	0.237545	0.124841	0.051*	0.545 (3)
H9B	0.510274	0.197358	0.079432	0.051*	0.545 (3)
C10A	0.5222 (3)	0.1673 (3)	0.1530 (3)	0.0562 (17)	0.545 (3)
H10A	0.541403	0.176222	0.186762	0.067*	0.545 (3)
H10B	0.537247	0.136128	0.140764	0.067*	0.545 (3)
C11A	0.4633 (3)	0.1605 (3)	0.1608 (4)	0.071 (2)	0.545 (3)
H11A	0.448716	0.192553	0.170894	0.085*	0.545 (3)
H11B	0.445077	0.151250	0.126629	0.085*	0.545 (3)
C12A	0.4499 (4)	0.1244 (4)	0.1992 (5)	0.067 (3)	0.545 (3)
H12A	0.411343	0.123151	0.200877	0.101*	0.545 (3)
H12B	0.462902	0.092056	0.189231	0.101*	0.545 (3)
H12C	0.466554	0.133496	0.233644	0.101*	0.545 (3)
C13A	0.5834 (2)	0.26396 (19)	0.0655 (2)	0.0344 (12)	0.545 (3)
H13A	0.558434	0.255785	0.035164	0.041*	0.545 (3)
H13B	0.568220	0.292130	0.083746	0.041*	0.545 (3)
C14A	0.6343 (3)	0.2799 (2)	0.0453 (2)	0.0451 (14)	0.545 (3)
H14A	0.646724	0.254943	0.020928	0.054*	0.545 (3)
H14B	0.661690	0.283561	0.074754	0.054*	0.545 (3)
C15A	0.6260 (3)	0.3289 (3)	0.0169 (3)	0.064 (2)	0.545 (3)
H15A	0.595987	0.325556	−0.009848	0.076*	0.545 (3)
H15B	0.616119	0.353977	0.042462	0.076*	0.545 (3)
C16A	0.6736 (5)	0.3468 (4)	−0.0092 (4)	0.091 (4)	0.545 (3)
H16A	0.665284	0.378249	−0.026523	0.137*	0.545 (3)
H16B	0.703379	0.351166	0.017058	0.137*	0.545 (3)
H16C	0.683218	0.322704	−0.035329	0.137*	0.545 (3)
N1B	0.58609 (17)	0.22036 (16)	0.10264 (18)	0.0320 (9)	0.251 (3)
C1B	0.6179 (2)	0.2327 (2)	0.1531 (2)	0.0297 (11)	0.251 (3)
H1C	0.654351	0.241473	0.144880	0.036*	0.251 (3)
H1D	0.620247	0.202954	0.175392	0.036*	0.251 (3)
C2B	0.5953 (3)	0.2744 (3)	0.1840 (3)	0.0414 (18)	0.251 (3)
H2C	0.560434	0.264517	0.195895	0.050*	0.251 (3)
H2D	0.589885	0.303531	0.161212	0.050*	0.251 (3)
C3B	0.6332 (2)	0.28756 (19)	0.23203 (19)	0.0329 (11)	0.251 (3)
H3C	0.636886	0.259005	0.255933	0.039*	0.251 (3)
H3D	0.668774	0.295351	0.220326	0.039*	0.251 (3)
C4B	0.6126 (2)	0.3311 (2)	0.2610 (2)	0.0462 (15)	0.251 (3)
H4D	0.637223	0.338773	0.291184	0.069*	0.251 (3)
H4E	0.609521	0.359467	0.237455	0.069*	0.251 (3)
H4F	0.577674	0.323168	0.273017	0.069*	0.251 (3)
C5B	0.6136 (2)	0.1772 (2)	0.0794 (2)	0.0391 (13)	0.251 (3)
H5C	0.615163	0.150143	0.105258	0.047*	0.251 (3)
H5D	0.650540	0.186893	0.073972	0.047*	0.251 (3)
C6B	0.5882 (2)	0.1579 (2)	0.0281 (2)	0.0456 (15)	0.251 (3)
H6C	0.579474	0.185652	0.004034	0.055*	0.251 (3)
H6D	0.554880	0.140541	0.034425	0.055*	0.251 (3)
C7B	0.6269 (3)	0.1223 (2)	0.0029 (3)	0.052 (2)	0.251 (3)
H7C	0.639674	0.097544	0.029235	0.063*	0.251 (3)
H7D	0.607590	0.104724	−0.026452	0.063*	0.251 (3)
C8B	0.6730 (3)	0.1480 (3)	−0.0167 (3)	0.062 (2)	0.251 (3)
H8D	0.696272	0.124130	−0.032226	0.093*	0.251 (3)
H8E	0.660639	0.172079	−0.043303	0.093*	0.251 (3)
H8F	0.692721	0.164900	0.012381	0.093*	0.251 (3)
C9B	0.5291 (2)	0.2075 (2)	0.1130 (3)	0.0421 (14)	0.251 (3)
H9C	0.511491	0.237545	0.124841	0.051*	0.251 (3)
H9D	0.510274	0.197358	0.079432	0.051*	0.251 (3)
C10B	0.5222 (3)	0.1673 (3)	0.1530 (3)	0.0562 (17)	0.251 (3)
H10C	0.541403	0.176222	0.186762	0.067*	0.251 (3)
H10D	0.537247	0.136128	0.140764	0.067*	0.251 (3)
C11B	0.4633 (3)	0.1605 (3)	0.1608 (4)	0.071 (2)	0.251 (3)
H11C	0.454831	0.126366	0.170556	0.085*	0.251 (3)
H11D	0.440540	0.170375	0.129413	0.085*	0.251 (3)
C12B	0.4585 (8)	0.2007 (7)	0.2120 (8)	0.060 (6)*	0.251 (3)
H12D	0.421980	0.201072	0.222475	0.090*	0.251 (3)
H12E	0.482505	0.190262	0.241744	0.090*	0.251 (3)
H12F	0.468383	0.233752	0.201087	0.090*	0.251 (3)
C13B	0.5834 (2)	0.26396 (19)	0.0655 (2)	0.0344 (12)	0.251 (3)
H13C	0.558434	0.255785	0.035164	0.041*	0.251 (3)
H13D	0.568220	0.292130	0.083746	0.041*	0.251 (3)
C14B	0.6343 (3)	0.2799 (2)	0.0453 (2)	0.0451 (14)	0.251 (3)
H14C	0.646724	0.254943	0.020928	0.054*	0.251 (3)
H14D	0.661690	0.283561	0.074754	0.054*	0.251 (3)
C15B	0.6260 (3)	0.3289 (3)	0.0169 (3)	0.064 (2)	0.251 (3)
H15C	0.595987	0.325556	−0.009848	0.076*	0.251 (3)
H15D	0.616119	0.353977	0.042462	0.076*	0.251 (3)
C16B	0.6736 (5)	0.3468 (4)	−0.0092 (4)	0.091 (4)	0.251 (3)
H16D	0.665284	0.378249	−0.026523	0.137*	0.251 (3)
H16E	0.703379	0.351166	0.017058	0.137*	0.251 (3)
H16F	0.683218	0.322704	−0.035329	0.137*	0.251 (3)
N1C	0.6036 (5)	0.2313 (4)	0.0847 (5)	0.017 (3)*	0.205 (3)
C1C	0.6315 (7)	0.2412 (7)	0.1391 (6)	0.024 (5)*	0.205 (3)
H1E	0.634053	0.209785	0.158550	0.029*	0.205 (3)
H1F	0.668179	0.252250	0.134336	0.029*	0.205 (3)
C2C	0.6053 (10)	0.2793 (8)	0.1734 (8)	0.017 (5)*	0.205 (3)
H2E	0.568366	0.285404	0.159300	0.021*	0.205 (3)
H2F	0.624990	0.310702	0.173007	0.021*	0.205 (3)
C3C	0.6054 (15)	0.2596 (12)	0.2310 (9)	0.083 (10)*	0.205 (3)
H3E	0.593559	0.224966	0.229847	0.099*	0.205 (3)
H3F	0.642335	0.260174	0.246858	0.099*	0.205 (3)
C4C	0.5712 (15)	0.2877 (14)	0.2653 (12)	0.102 (12)*	0.205 (3)
H4G	0.573581	0.273076	0.300371	0.122*	0.205 (3)
H4H	0.583254	0.321871	0.267594	0.122*	0.205 (3)
H4I	0.534390	0.286600	0.250552	0.122*	0.205 (3)
C5C	0.6346 (6)	0.1920 (5)	0.0584 (5)	0.015 (3)*	0.205 (3)
H5E	0.672296	0.202210	0.060293	0.018*	0.205 (3)
H5F	0.632662	0.161531	0.079287	0.018*	0.205 (3)
C6C	0.6182 (8)	0.1796 (6)	0.0022 (6)	0.031 (4)*	0.205 (3)
H6E	0.635709	0.201989	−0.021628	0.037*	0.205 (3)
H6F	0.579300	0.182972	−0.004495	0.037*	0.205 (3)
C7C	0.635 (2)	0.1264 (9)	−0.007 (2)	0.25 (5)*	0.205 (3)
H7E	0.634304	0.121086	−0.044987	0.300*	0.205 (3)
H7F	0.672760	0.123351	0.006962	0.300*	0.205 (3)
C8C	0.6053 (14)	0.0850 (11)	0.0160 (14)	0.085 (10)*	0.205 (3)
H8G	0.621250	0.053660	0.006713	0.102*	0.205 (3)
H8H	0.606915	0.088230	0.054212	0.102*	0.205 (3)
H8I	0.568227	0.085951	0.001950	0.102*	0.205 (3)
C9C	0.5455 (6)	0.2183 (7)	0.0860 (8)	0.031 (4)*	0.205 (3)
H9E	0.530705	0.212465	0.049712	0.038*	0.205 (3)
H9F	0.526649	0.246890	0.099732	0.038*	0.205 (3)
C10C	0.5339 (8)	0.1736 (9)	0.1190 (11)	0.055 (7)*	0.205 (3)
H10E	0.539556	0.143288	0.098763	0.066*	0.205 (3)
H10F	0.558385	0.172979	0.150933	0.066*	0.205 (3)
C11C	0.4774 (9)	0.1756 (9)	0.1339 (11)	0.052 (6)*	0.205 (3)
H11E	0.472313	0.207043	0.152256	0.063*	0.205 (3)
H11F	0.453835	0.176169	0.101266	0.063*	0.205 (3)
C12C	0.4596 (12)	0.1357 (11)	0.1671 (13)	0.060 (9)*	0.205 (3)
H12G	0.422434	0.141086	0.174066	0.072*	0.205 (3)
H12H	0.462995	0.104290	0.149055	0.072*	0.205 (3)
H12I	0.481543	0.135281	0.200239	0.072*	0.205 (3)
C13C	0.6062 (9)	0.2777 (7)	0.0516 (8)	0.033 (5)*	0.205 (3)
H13E	0.583655	0.272618	0.018753	0.040*	0.205 (3)
H13F	0.590347	0.304941	0.070744	0.040*	0.205 (3)
C14C	0.6605 (10)	0.2937 (10)	0.0373 (12)	0.062 (8)*	0.205 (3)
H14E	0.677081	0.266376	0.018795	0.074*	0.205 (3)
H14F	0.682933	0.300263	0.069849	0.074*	0.205 (3)
C15C	0.6600 (12)	0.3393 (11)	0.0027 (14)	0.054 (9)*	0.205 (3)
H15E	0.637656	0.333120	−0.029976	0.065*	0.205 (3)
H15F	0.644327	0.367052	0.021192	0.065*	0.205 (3)
C16C	0.7149 (13)	0.3525 (13)	−0.0104 (15)	0.088 (11)*	0.205 (3)
H16G	0.713521	0.381862	−0.032545	0.106*	0.205 (3)
H16H	0.736846	0.359109	0.021973	0.106*	0.205 (3)
H16I	0.730183	0.325218	−0.029132	0.106*	0.205 (3)
N2	0.38010 (12)	0.51048 (10)	0.14781 (12)	0.0232 (6)
C17	0.41819 (15)	0.54048 (13)	0.11674 (14)	0.0266 (8)
H17A	0.411078	0.575751	0.122379	0.032*
H17B	0.454878	0.533777	0.131167	0.032*
C18	0.41515 (17)	0.53080 (16)	0.05800 (15)	0.0340 (9)
H18A	0.422150	0.495655	0.051498	0.041*
H18B	0.379105	0.538637	0.042538	0.041*
C19	0.45558 (17)	0.56203 (16)	0.03245 (16)	0.0347 (9)
H19A	0.491433	0.554240	0.048444	0.042*
H19B	0.448432	0.597073	0.039363	0.042*
C20	0.4546 (2)	0.55390 (19)	−0.02669 (17)	0.0469 (12)
H20A	0.481387	0.574837	−0.041358	0.070*
H20B	0.462458	0.519400	−0.033774	0.070*
H20C	0.419452	0.562238	−0.042857	0.070*
C21	0.38624 (14)	0.45602 (12)	0.13760 (14)	0.0243 (7)
H21A	0.360024	0.438045	0.157246	0.029*
H21B	0.377419	0.449847	0.099870	0.029*
C22	0.44079 (15)	0.43491 (13)	0.15238 (16)	0.0294 (8)
H22A	0.446417	0.432446	0.190958	0.035*
H22B	0.468325	0.456916	0.139797	0.035*
C23	0.44559 (15)	0.38433 (13)	0.12808 (16)	0.0297 (8)
H23A	0.415721	0.363604	0.137927	0.036*
H23B	0.442960	0.387510	0.089464	0.036*
C24	0.49757 (16)	0.35928 (15)	0.14557 (18)	0.0375 (10)
H24A	0.498926	0.326920	0.129002	0.056*
H24B	0.527276	0.379328	0.135264	0.056*
H24C	0.500039	0.355424	0.183723	0.056*
C25	0.39338 (14)	0.52239 (13)	0.20529 (14)	0.0251 (7)
H25A	0.393302	0.558503	0.209544	0.030*
H25B	0.429811	0.510704	0.215241	0.030*
C26	0.35607 (16)	0.50030 (16)	0.24311 (15)	0.0316 (8)
H26A	0.354789	0.464216	0.238594	0.038*
H26B	0.319814	0.513339	0.235195	0.038*
C27	0.37485 (16)	0.51264 (16)	0.29970 (15)	0.0330 (9)
H27A	0.381258	0.548426	0.302486	0.040*
H27B	0.346258	0.504377	0.322664	0.040*
C28	0.42525 (19)	0.48566 (18)	0.31938 (18)	0.0437 (11)
H28A	0.435041	0.495202	0.355699	0.066*
H28B	0.419035	0.450176	0.317636	0.066*
H28C	0.454071	0.494271	0.297438	0.066*
C29	0.32286 (14)	0.52307 (14)	0.13131 (14)	0.0260 (7)
H29A	0.316378	0.516007	0.093454	0.031*
H29B	0.299580	0.501116	0.150240	0.031*
C30	0.30696 (17)	0.57497 (15)	0.14079 (17)	0.0376 (10)
H30A	0.324466	0.597087	0.116671	0.045*
H30B	0.318510	0.584511	0.177152	0.045*
C31	0.2462 (2)	0.5802 (2)	0.1319 (2)	0.0607 (15)
H31A	0.235730	0.576167	0.094158	0.073*
H31B	0.229051	0.553710	0.151056	0.073*
C32	0.2270 (3)	0.6281 (2)	0.1496 (2)	0.0727 (18)
H32A	0.188338	0.629702	0.143188	0.109*
H32B	0.236605	0.632036	0.187162	0.109*
H32C	0.243285	0.654495	0.130260	0.109*
N3	0.16227 (13)	0.48302 (11)	0.35298 (13)	0.0298 (7)
C33	0.20126 (17)	0.50701 (13)	0.39315 (15)	0.0320 (9)
H33A	0.185631	0.538254	0.404396	0.038*
H33B	0.233876	0.515217	0.375796	0.038*
C34	0.21694 (19)	0.47672 (15)	0.44180 (16)	0.0390 (10)
H34A	0.230222	0.444279	0.431231	0.047*
H34B	0.185395	0.471281	0.461843	0.047*
C35	0.25990 (19)	0.50280 (15)	0.47650 (17)	0.0409 (10)
H35A	0.247649	0.536454	0.483822	0.049*
H35B	0.264788	0.485207	0.510335	0.049*
C36	0.3128 (2)	0.50593 (18)	0.4527 (2)	0.0520 (13)
H36A	0.338399	0.523011	0.476907	0.078*
H36B	0.325800	0.472753	0.446123	0.078*
H36C	0.308641	0.524059	0.419580	0.078*
C37	0.18408 (17)	0.43504 (14)	0.33315 (17)	0.0344 (9)
H37A	0.156124	0.419176	0.309882	0.041*
H37B	0.191882	0.412999	0.363477	0.041*
C38	0.2340 (2)	0.43964 (18)	0.3034 (2)	0.0487 (12)
H38A	0.258785	0.463297	0.321529	0.058*
H38B	0.224609	0.452002	0.267612	0.058*
C39	0.2607 (2)	0.3892 (2)	0.3007 (2)	0.0569 (14)
H39A	0.233299	0.364177	0.291223	0.068*
H39B	0.285710	0.389781	0.272648	0.068*
C40	0.2898 (3)	0.3749 (2)	0.3504 (2)	0.0730 (18)
H40A	0.305990	0.342565	0.346369	0.109*
H40B	0.317583	0.399134	0.359581	0.109*
H40C	0.265149	0.373518	0.378165	0.109*
C41	0.11105 (18)	0.47056 (16)	0.37643 (18)	0.0397 (10)
H41A	0.118312	0.445206	0.403706	0.048*
H41B	0.086473	0.456060	0.348755	0.048*
C42	0.0833 (2)	0.5140 (2)	0.4008 (2)	0.0592 (14)
H42A	0.104910	0.525945	0.432045	0.071*
H42B	0.078961	0.541218	0.375292	0.071*
C43	0.0294 (3)	0.4972 (3)	0.4164 (3)	0.085 (2)
H43A	0.033761	0.469424	0.441258	0.102*
H43B	0.007575	0.485898	0.385026	0.102*
C44	0.0018 (4)	0.5399 (4)	0.4420 (4)	0.135 (4)
H44A	−0.033056	0.529121	0.452045	0.202*
H44B	0.023390	0.550691	0.473150	0.202*
H44C	−0.002728	0.567122	0.417063	0.202*
C45	0.15373 (19)	0.51962 (15)	0.30840 (16)	0.0375 (10)
H45A	0.141874	0.551044	0.323060	0.045*
H45B	0.188331	0.525704	0.293763	0.045*
C46	0.1144 (2)	0.50496 (19)	0.2642 (2)	0.0539 (13)
H46A	0.077782	0.507875	0.275161	0.065*	0.797 (16)
H46B	0.120472	0.470506	0.253886	0.065*	0.797 (16)
H46C	0.132945	0.481488	0.242320	0.065*	0.203 (16)
H46D	0.086193	0.486165	0.280154	0.065*	0.203 (16)
C47A	0.1228 (4)	0.5413 (3)	0.2158 (3)	0.065 (3)	0.797 (16)
H47A	0.120489	0.575755	0.227681	0.078*	0.797 (16)
H47B	0.158501	0.536055	0.203341	0.078*	0.797 (16)
C47B	0.0877 (10)	0.5399 (7)	0.2284 (8)	0.030 (6)*	0.203 (16)
H47C	0.051225	0.543799	0.239505	0.036*	0.203 (16)
H47D	0.105679	0.571901	0.234616	0.036*	0.203 (16)
C48	0.0830 (3)	0.5326 (3)	0.1733 (3)	0.092 (2)
H48A	0.088830	0.555009	0.144381	0.138*	0.797 (16)
H48B	0.085648	0.498587	0.161261	0.138*	0.797 (16)
H48C	0.047687	0.538234	0.185569	0.138*	0.797 (16)
H48D	0.063791	0.560209	0.156419	0.138*	0.203 (16)
H48E	0.118484	0.530385	0.160339	0.138*	0.203 (16)
H48F	0.063599	0.502061	0.165267	0.138*	0.203 (16)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Pt1	0.01088 (7)	0.01183 (7)	0.01131 (7)	−0.00033 (6)	0.00239 (5)	0.00048 (5)
Mo1	0.01494 (13)	0.01407 (12)	0.01536 (13)	−0.00181 (10)	0.00165 (9)	−0.00082 (9)
Mo2	0.01338 (12)	0.01612 (12)	0.01473 (13)	−0.00069 (10)	0.00058 (9)	0.00013 (9)
Mo3	0.01466 (13)	0.01328 (12)	0.01780 (14)	0.00075 (9)	0.00173 (10)	0.00115 (9)
O1	0.0185 (11)	0.0136 (10)	0.0128 (11)	0.0009 (8)	0.0054 (8)	−0.0004 (8)
O2	0.0143 (11)	0.0164 (10)	0.0138 (11)	−0.0038 (8)	0.0041 (8)	−0.0011 (8)
O3	0.0143 (11)	0.0164 (10)	0.0129 (11)	−0.0002 (8)	0.0032 (8)	0.0030 (8)
O4	0.0166 (11)	0.0151 (10)	0.0189 (12)	−0.0027 (8)	0.0012 (8)	0.0025 (8)
O5	0.0201 (11)	0.0148 (10)	0.0158 (11)	−0.0001 (9)	0.0017 (9)	−0.0021 (8)
O6	0.0131 (11)	0.0168 (10)	0.0204 (12)	0.0000 (8)	0.0037 (8)	−0.0006 (8)
O7	0.0248 (13)	0.0187 (11)	0.0259 (13)	−0.0001 (10)	0.0032 (10)	−0.0021 (9)
O8	0.0198 (12)	0.0216 (11)	0.0221 (12)	−0.0046 (9)	0.0013 (9)	0.0012 (9)
O9	0.0155 (11)	0.0220 (12)	0.0288 (13)	−0.0026 (9)	0.0016 (9)	−0.0019 (10)
O10	0.0264 (13)	0.0228 (12)	0.0191 (12)	0.0016 (10)	−0.0008 (9)	0.0010 (9)
O11	0.0241 (12)	0.0180 (11)	0.0246 (13)	−0.0009 (9)	−0.0008 (10)	0.0037 (9)
O12	0.0231 (13)	0.0187 (11)	0.0306 (14)	0.0025 (10)	0.0035 (10)	−0.0026 (10)
Pt2	0.01203 (7)	0.01370 (7)	0.01345 (8)	0.000	0.00410 (5)	0.000
Mo4	0.01857 (19)	0.01647 (18)	0.0238 (2)	0.000	0.00176 (15)	0.000
Mo5	0.01739 (13)	0.01843 (13)	0.01689 (14)	−0.00287 (10)	0.00213 (10)	−0.00036 (10)
Mo6	0.01845 (14)	0.01780 (13)	0.01738 (14)	0.00069 (10)	0.00226 (10)	0.00250 (10)
Mo7	0.01417 (18)	0.01452 (17)	0.0223 (2)	0.000	0.00368 (14)	0.000
O13	0.0175 (11)	0.0162 (10)	0.0141 (11)	−0.0002 (8)	0.0068 (8)	0.0026 (8)
O14	0.0128 (10)	0.0207 (11)	0.0144 (11)	−0.0017 (8)	0.0046 (8)	−0.0002 (8)
O15	0.0128 (10)	0.0163 (10)	0.0159 (11)	0.0007 (8)	0.0054 (8)	−0.0028 (8)
O16	0.0171 (11)	0.0208 (11)	0.0212 (12)	−0.0044 (9)	0.0040 (9)	0.0030 (9)
O17	0.0237 (12)	0.0190 (11)	0.0136 (11)	−0.0024 (9)	0.0041 (9)	0.0010 (8)
O18	0.0163 (11)	0.0197 (11)	0.0219 (12)	0.0024 (9)	0.0033 (9)	−0.0008 (9)
O19	0.0304 (14)	0.0248 (13)	0.0367 (16)	−0.0057 (11)	−0.0014 (11)	0.0090 (11)
O20	0.0328 (14)	0.0256 (13)	0.0236 (13)	−0.0036 (11)	0.0065 (10)	−0.0058 (10)
O21	0.0208 (13)	0.0288 (13)	0.0297 (14)	−0.0061 (10)	−0.0009 (10)	0.0042 (10)
O22	0.0220 (13)	0.0277 (13)	0.0302 (14)	0.0033 (10)	−0.0031 (10)	−0.0007 (10)
O23	0.0355 (15)	0.0239 (12)	0.0242 (13)	0.0006 (11)	0.0057 (11)	0.0074 (10)
O24	0.0240 (13)	0.0237 (12)	0.0296 (14)	0.0039 (10)	0.0040 (10)	−0.0054 (10)
Pt3	0.01283 (5)	0.01678 (6)	0.01251 (6)	−0.00079 (4)	0.00394 (4)	−0.00042 (4)
O25	0.0210 (12)	0.0212 (11)	0.0160 (12)	−0.0049 (9)	0.0043 (9)	−0.0005 (9)
O26	0.0166 (11)	0.0216 (11)	0.0155 (11)	−0.0039 (9)	0.0040 (8)	−0.0036 (9)
O27	0.0156 (11)	0.0240 (12)	0.0189 (12)	0.0038 (9)	0.0033 (9)	0.0010 (9)
O28	0.0192 (12)	0.0227 (12)	0.0156 (12)	0.0045 (9)	0.0044 (9)	−0.0011 (9)
O29	0.0182 (11)	0.0269 (12)	0.0113 (11)	−0.0015 (9)	0.0022 (8)	−0.0003 (9)
O30	0.0191 (12)	0.0214 (11)	0.0183 (12)	−0.0013 (9)	0.0064 (9)	0.0011 (9)
O31	0.0260 (14)	0.0442 (16)	0.0231 (14)	−0.0011 (12)	0.0050 (10)	−0.0068 (11)
O32	0.0397 (17)	0.0340 (16)	0.055 (2)	−0.0084 (13)	0.0217 (14)	−0.0102 (14)
O33	0.0269 (13)	0.0313 (14)	0.0255 (14)	−0.0030 (11)	0.0083 (10)	−0.0012 (10)
O34	0.0257 (13)	0.0318 (14)	0.0219 (13)	−0.0008 (11)	0.0047 (10)	0.0028 (10)
O35	0.0339 (17)	0.053 (2)	0.049 (2)	0.0067 (14)	−0.0118 (14)	−0.0004 (15)
O36	0.0227 (13)	0.0341 (14)	0.0318 (15)	0.0032 (11)	0.0098 (11)	0.0010 (11)
O37	0.0410 (17)	0.0329 (15)	0.0478 (18)	−0.0055 (13)	0.0222 (14)	−0.0079 (13)
O38	0.117 (4)	0.054 (2)	0.076 (3)	−0.018 (2)	0.006 (3)	0.006 (2)
O39	0.0274 (15)	0.0378 (16)	0.0518 (19)	0.0035 (12)	0.0141 (13)	0.0044 (13)
O40	0.0298 (17)	0.080 (3)	0.051 (2)	−0.0042 (17)	0.0013 (14)	0.0086 (18)
O41	0.0468 (19)	0.0518 (19)	0.0387 (18)	0.0025 (15)	0.0151 (14)	0.0104 (14)
O42	0.0421 (17)	0.0343 (15)	0.0432 (18)	0.0150 (13)	0.0051 (13)	0.0042 (13)
O43	0.066 (2)	0.0424 (19)	0.070 (2)	−0.0150 (17)	0.036 (2)	−0.0197 (17)
O44	0.0280 (15)	0.0432 (18)	0.068 (2)	0.0001 (13)	0.0006 (15)	−0.0055 (15)
O45	0.090 (3)	0.0408 (19)	0.063 (2)	−0.0050 (19)	0.035 (2)	−0.0160 (17)
N1A	0.028 (2)	0.029 (2)	0.037 (3)	0.0055 (18)	−0.0057 (19)	−0.0030 (18)
C1A	0.027 (3)	0.034 (3)	0.028 (3)	0.005 (2)	−0.004 (2)	0.007 (2)
C2A	0.037 (4)	0.063 (4)	0.025 (3)	0.020 (3)	0.005 (3)	0.007 (3)
C3A	0.035 (3)	0.035 (3)	0.027 (3)	0.006 (2)	−0.011 (2)	0.0000 (19)
C4A	0.035 (3)	0.066 (4)	0.035 (3)	0.017 (3)	−0.015 (2)	−0.021 (3)
C5A	0.038 (3)	0.034 (3)	0.043 (3)	0.012 (2)	−0.007 (2)	−0.010 (2)
C6A	0.041 (3)	0.040 (3)	0.053 (4)	0.014 (3)	−0.012 (3)	−0.018 (3)
C7A	0.048 (4)	0.039 (3)	0.067 (4)	0.014 (3)	−0.022 (3)	−0.027 (3)
C8A	0.061 (4)	0.081 (5)	0.045 (4)	0.016 (4)	0.010 (3)	−0.030 (3)
C9A	0.026 (3)	0.041 (3)	0.059 (4)	0.000 (2)	−0.002 (3)	−0.009 (3)
C10A	0.050 (4)	0.049 (4)	0.070 (5)	−0.007 (3)	0.003 (3)	−0.001 (3)
C11A	0.048 (4)	0.060 (5)	0.109 (7)	0.004 (4)	0.032 (4)	0.005 (5)
C12A	0.059 (7)	0.072 (7)	0.072 (8)	−0.021 (6)	0.015 (6)	−0.002 (6)
C13A	0.045 (3)	0.031 (3)	0.026 (3)	0.009 (2)	−0.007 (2)	−0.001 (2)
C14A	0.054 (4)	0.048 (4)	0.033 (3)	0.002 (3)	0.004 (3)	0.003 (2)
C15A	0.076 (5)	0.061 (4)	0.053 (4)	−0.009 (4)	−0.001 (4)	0.019 (3)
C16A	0.106 (9)	0.104 (8)	0.064 (7)	−0.031 (7)	0.011 (6)	0.021 (5)
N1B	0.028 (2)	0.029 (2)	0.037 (3)	0.0055 (18)	−0.0057 (19)	−0.0030 (18)
C1B	0.027 (3)	0.034 (3)	0.028 (3)	0.005 (2)	−0.004 (2)	0.007 (2)
C2B	0.037 (4)	0.063 (4)	0.025 (3)	0.020 (3)	0.005 (3)	0.007 (3)
C3B	0.035 (3)	0.035 (3)	0.027 (3)	0.006 (2)	−0.011 (2)	0.0000 (19)
C4B	0.035 (3)	0.066 (4)	0.035 (3)	0.017 (3)	−0.015 (2)	−0.021 (3)
C5B	0.038 (3)	0.034 (3)	0.043 (3)	0.012 (2)	−0.007 (2)	−0.010 (2)
C6B	0.041 (3)	0.040 (3)	0.053 (4)	0.014 (3)	−0.012 (3)	−0.018 (3)
C7B	0.048 (4)	0.039 (3)	0.067 (4)	0.014 (3)	−0.022 (3)	−0.027 (3)
C8B	0.061 (4)	0.081 (5)	0.045 (4)	0.016 (4)	0.010 (3)	−0.030 (3)
C9B	0.026 (3)	0.041 (3)	0.059 (4)	0.000 (2)	−0.002 (3)	−0.009 (3)
C10B	0.050 (4)	0.049 (4)	0.070 (5)	−0.007 (3)	0.003 (3)	−0.001 (3)
C11B	0.048 (4)	0.060 (5)	0.109 (7)	0.004 (4)	0.032 (4)	0.005 (5)
C13B	0.045 (3)	0.031 (3)	0.026 (3)	0.009 (2)	−0.007 (2)	−0.001 (2)
C14B	0.054 (4)	0.048 (4)	0.033 (3)	0.002 (3)	0.004 (3)	0.003 (2)
C15B	0.076 (5)	0.061 (4)	0.053 (4)	−0.009 (4)	−0.001 (4)	0.019 (3)
C16B	0.106 (9)	0.104 (8)	0.064 (7)	−0.031 (7)	0.011 (6)	0.021 (5)
N2	0.0242 (15)	0.0208 (14)	0.0241 (16)	−0.0024 (12)	−0.0013 (12)	−0.0041 (11)
C17	0.0265 (19)	0.0256 (18)	0.027 (2)	−0.0058 (14)	−0.0005 (14)	−0.0046 (14)
C18	0.034 (2)	0.039 (2)	0.030 (2)	−0.0116 (17)	0.0056 (16)	−0.0081 (16)
C19	0.036 (2)	0.037 (2)	0.032 (2)	−0.0100 (18)	0.0070 (17)	−0.0066 (17)
C20	0.052 (3)	0.055 (3)	0.036 (3)	−0.012 (2)	0.016 (2)	−0.012 (2)
C21	0.0248 (18)	0.0208 (16)	0.0265 (19)	−0.0039 (14)	−0.0032 (14)	−0.0049 (13)
C22	0.0277 (19)	0.0243 (18)	0.035 (2)	0.0000 (15)	−0.0065 (15)	−0.0064 (15)
C23	0.030 (2)	0.0228 (17)	0.035 (2)	0.0024 (15)	−0.0098 (16)	−0.0040 (15)
C24	0.034 (2)	0.029 (2)	0.048 (3)	0.0048 (17)	−0.0075 (18)	−0.0065 (17)
C25	0.0242 (18)	0.0259 (17)	0.0243 (19)	−0.0028 (14)	−0.0038 (14)	−0.0055 (14)
C26	0.028 (2)	0.040 (2)	0.026 (2)	−0.0060 (17)	−0.0015 (15)	−0.0013 (16)
C27	0.033 (2)	0.041 (2)	0.024 (2)	−0.0032 (17)	−0.0012 (15)	−0.0005 (16)
C28	0.046 (3)	0.045 (3)	0.039 (3)	0.006 (2)	−0.009 (2)	0.0044 (19)
C29	0.0215 (17)	0.0318 (19)	0.0240 (19)	0.0009 (14)	−0.0032 (14)	−0.0030 (14)
C30	0.036 (2)	0.037 (2)	0.038 (2)	0.0096 (18)	−0.0118 (18)	−0.0090 (17)
C31	0.052 (3)	0.048 (3)	0.079 (4)	0.020 (2)	−0.017 (3)	−0.016 (3)
C32	0.072 (4)	0.071 (4)	0.072 (4)	0.035 (3)	−0.018 (3)	−0.011 (3)
N3	0.0381 (19)	0.0199 (14)	0.0316 (18)	−0.0077 (13)	0.0031 (14)	−0.0027 (12)
C33	0.045 (2)	0.0197 (17)	0.030 (2)	−0.0104 (16)	−0.0031 (17)	−0.0017 (14)
C34	0.059 (3)	0.0263 (19)	0.031 (2)	−0.0073 (19)	−0.0029 (19)	0.0011 (16)
C35	0.061 (3)	0.0253 (19)	0.034 (2)	0.0012 (19)	−0.010 (2)	−0.0023 (16)
C36	0.055 (3)	0.040 (3)	0.058 (3)	0.003 (2)	−0.017 (2)	0.004 (2)
C37	0.041 (2)	0.0199 (17)	0.042 (2)	−0.0060 (16)	0.0009 (18)	−0.0094 (16)
C38	0.053 (3)	0.042 (3)	0.052 (3)	−0.005 (2)	0.010 (2)	−0.010 (2)
C39	0.057 (3)	0.055 (3)	0.059 (3)	0.000 (3)	0.007 (3)	−0.023 (3)
C40	0.086 (5)	0.062 (4)	0.071 (4)	0.019 (3)	0.003 (3)	−0.005 (3)
C41	0.045 (3)	0.032 (2)	0.042 (3)	−0.0094 (19)	0.007 (2)	0.0015 (18)
C42	0.068 (4)	0.054 (3)	0.059 (3)	−0.002 (3)	0.028 (3)	−0.008 (3)
C43	0.075 (5)	0.091 (5)	0.093 (5)	0.013 (4)	0.043 (4)	−0.008 (4)
C44	0.119 (7)	0.144 (9)	0.152 (9)	0.017 (6)	0.084 (7)	−0.041 (7)
C45	0.052 (3)	0.028 (2)	0.031 (2)	−0.0066 (18)	−0.0041 (19)	0.0010 (16)
C46	0.066 (3)	0.045 (3)	0.047 (3)	−0.002 (2)	−0.019 (2)	−0.004 (2)
C47A	0.073 (6)	0.067 (5)	0.052 (5)	−0.019 (4)	−0.016 (4)	−0.002 (3)
C48	0.116 (6)	0.076 (5)	0.079 (5)	0.007 (4)	−0.021 (4)	−0.006 (4)

Geometric parameters (Å, º) top

Pt1—O3	1.993 (2)	C15B—H15C	0.9900
Pt1—O3ⁱ	1.993 (2)	C15B—H15D	0.9900
Pt1—O2ⁱ	1.995 (2)	C16B—H16D	0.9800
Pt1—O2	1.995 (2)	C16B—H16E	0.9800
Pt1—O1	2.002 (2)	C16B—H16F	0.9800
Pt1—O1ⁱ	2.002 (2)	N1C—C5C	1.513 (13)
Mo1—O8	1.711 (2)	N1C—C9C	1.514 (14)
Mo1—O7	1.716 (2)	N1C—C13C	1.525 (15)
Mo1—O4	1.937 (2)	N1C—C1C	1.540 (15)
Mo1—O5	1.948 (2)	C1C—C2C	1.540 (17)
Mo1—O2ⁱ	2.261 (2)	C1C—H1E	0.9900
Mo1—O1	2.310 (2)	C1C—H1F	0.9900
Mo2—O9	1.704 (2)	C2C—C3C	1.568 (18)
Mo2—O10	1.711 (2)	C2C—H2E	0.9900
Mo2—O5	1.940 (2)	C2C—H2F	0.9900
Mo2—O6	1.952 (2)	C3C—C4C	1.488 (18)
Mo2—O2ⁱ	2.238 (2)	C3C—H3E	0.9900
Mo2—O3	2.342 (2)	C3C—H3F	0.9900
Mo3—O11	1.714 (2)	C4C—H4G	0.9800
Mo3—O12	1.714 (2)	C4C—H4H	0.9800
Mo3—O6	1.916 (2)	C4C—H4I	0.9800
Mo3—O4ⁱ	1.945 (2)	C5C—C6C	1.506 (15)
Mo3—O1ⁱ	2.287 (2)	C5C—H5E	0.9900
Mo3—O3	2.317 (2)	C5C—H5F	0.9900
O1—H1	0.821 (18)	C6C—C7C	1.535 (19)
O2—H2	0.832 (18)	C6C—H6E	0.9900
O3—H3	0.826 (18)	C6C—H6F	0.9900
Pt2—O15	1.999 (2)	C7C—C8C	1.50 (2)
Pt2—O15ⁱⁱ	1.999 (2)	C7C—H7E	0.9900
Pt2—O13	2.000 (2)	C7C—H7F	0.9900
Pt2—O13ⁱⁱ	2.000 (2)	C8C—H8G	0.9800
Pt2—O14ⁱⁱ	2.005 (2)	C8C—H8H	0.9800
Pt2—O14	2.005 (2)	C8C—H8I	0.9800
Mo4—O19ⁱⁱ	1.711 (3)	C9C—C10C	1.522 (17)
Mo4—O19	1.711 (3)	C9C—H9E	0.9900
Mo4—O16	1.944 (2)	C9C—H9F	0.9900
Mo4—O16ⁱⁱ	1.944 (2)	C10C—C11C	1.507 (18)
Mo4—O13ⁱⁱ	2.300 (2)	C10C—H10E	0.9900
Mo4—O13	2.300 (2)	C10C—H10F	0.9900
Mo5—O20	1.705 (2)	C11C—C12C	1.469 (18)
Mo5—O21	1.717 (2)	C11C—H11E	0.9900
Mo5—O16	1.932 (2)	C11C—H11F	0.9900
Mo5—O17	1.949 (2)	C12C—H12G	0.9800
Mo5—O13ⁱⁱ	2.272 (2)	C12C—H12H	0.9800
Mo5—O14	2.327 (2)	C12C—H12I	0.9800
Mo6—O23	1.699 (2)	C13C—C14C	1.512 (17)
Mo6—O22	1.721 (2)	C13C—H13E	0.9900
Mo6—O17	1.930 (2)	C13C—H13F	0.9900
Mo6—O18	1.947 (2)	C14C—C15C	1.524 (18)
Mo6—O15ⁱⁱ	2.252 (2)	C14C—H14E	0.9900
Mo6—O14	2.354 (2)	C14C—H14F	0.9900
Mo7—O24	1.716 (2)	C15C—C16C	1.494 (18)
Mo7—O24ⁱⁱ	1.716 (2)	C15C—H15E	0.9900
Mo7—O18	1.952 (2)	C15C—H15F	0.9900
Mo7—O18ⁱⁱ	1.952 (2)	C16C—H16G	0.9800
Mo7—O15ⁱⁱ	2.272 (2)	C16C—H16H	0.9800
Mo7—O15	2.273 (2)	C16C—H16I	0.9800
O13—H13	0.809 (18)	N2—C21	1.517 (4)
O14—H14	0.805 (18)	N2—C29	1.517 (4)
O15—H15	0.810 (18)	N2—C25	1.521 (4)
Pt3—O27	1.995 (2)	N2—C17	1.529 (5)
Pt3—O29	1.996 (2)	C17—C18	1.524 (5)
Pt3—O28	1.998 (2)	C17—H17A	0.9900
Pt3—O25	1.999 (2)	C17—H17B	0.9900
Pt3—O26	2.000 (2)	C18—C19	1.514 (5)
Pt3—O30	2.010 (2)	C18—H18A	0.9900
O25—H25	0.812 (19)	C18—H18B	0.9900
O26—H26	0.806 (18)	C19—C20	1.529 (6)
O27—H27	0.797 (19)	C19—H19A	0.9900
O28—H28	0.809 (19)	C19—H19B	0.9900
O29—H29	0.812 (19)	C20—H20A	0.9800
O30—H30	0.806 (19)	C20—H20B	0.9800
N1A—C1A	1.508 (6)	C20—H20C	0.9800
N1A—C5A	1.509 (6)	C21—C22	1.516 (5)
N1A—C13A	1.520 (7)	C21—H21A	0.9900
N1A—C9A	1.525 (7)	C21—H21B	0.9900
C1A—C2A	1.520 (8)	C22—C23	1.520 (5)
C1A—H1A	0.9900	C22—H22A	0.9900
C1A—H1B	0.9900	C22—H22B	0.9900
C2A—C3A	1.546 (9)	C23—C24	1.519 (5)
C2A—H2A	0.9900	C23—H23A	0.9900
C2A—H2B	0.9900	C23—H23B	0.9900
C3A—C4A	1.510 (7)	C24—H24A	0.9800
C3A—H3A	0.9900	C24—H24B	0.9800
C3A—H3B	0.9900	C24—H24C	0.9800
C4A—H4A	0.9800	C25—C26	1.524 (5)
C4A—H4B	0.9800	C25—H25A	0.9900
C4A—H4C	0.9800	C25—H25B	0.9900
C5A—C6A	1.513 (7)	C26—C27	1.529 (5)
C5A—H5A	0.9900	C26—H26A	0.9900
C5A—H5B	0.9900	C26—H26B	0.9900
C6A—C7A	1.551 (8)	C27—C28	1.524 (6)
C6A—H6A	0.9900	C27—H27A	0.9900
C6A—H6B	0.9900	C27—H27B	0.9900
C7A—C8A	1.480 (12)	C28—H28A	0.9800
C7A—H7A	0.9900	C28—H28B	0.9800
C7A—H7B	0.9900	C28—H28C	0.9800
C8A—H8A	0.9800	C29—C30	1.495 (5)
C8A—H8B	0.9800	C29—H29A	0.9900
C8A—H8C	0.9800	C29—H29B	0.9900
C9A—C10A	1.520 (9)	C30—C31	1.542 (6)
C9A—H9A	0.9900	C30—H30A	0.9900
C9A—H9B	0.9900	C30—H30B	0.9900
C10A—C11A	1.528 (10)	C31—C32	1.476 (7)
C10A—H10A	0.9900	C31—H31A	0.9900
C10A—H10B	0.9900	C31—H31B	0.9900
C11A—C12A	1.449 (14)	C32—H32A	0.9800
C11A—H11A	0.9900	C32—H32B	0.9800
C11A—H11B	0.9900	C32—H32C	0.9800
C12A—H12A	0.9800	N3—C41	1.505 (5)
C12A—H12B	0.9800	N3—C45	1.519 (5)
C12A—H12C	0.9800	N3—C33	1.520 (5)
C13A—C14A	1.487 (9)	N3—C37	1.520 (5)
C13A—H13A	0.9900	C33—C34	1.523 (5)
C13A—H13B	0.9900	C33—H33A	0.9900
C14A—C15A	1.527 (9)	C33—H33B	0.9900
C14A—H14A	0.9900	C34—C35	1.528 (6)
C14A—H14B	0.9900	C34—H34A	0.9900
C15A—C16A	1.499 (12)	C34—H34B	0.9900
C15A—H15A	0.9900	C35—C36	1.513 (7)
C15A—H15B	0.9900	C35—H35A	0.9900
C16A—H16A	0.9800	C35—H35B	0.9900
C16A—H16B	0.9800	C36—H36A	0.9800
C16A—H16C	0.9800	C36—H36B	0.9800
N1B—C1B	1.508 (6)	C36—H36C	0.9800
N1B—C5B	1.509 (6)	C37—C38	1.525 (6)
N1B—C13B	1.520 (7)	C37—H37A	0.9900
N1B—C9B	1.525 (7)	C37—H37B	0.9900
C1B—C2B	1.520 (8)	C38—C39	1.535 (7)
C1B—H1C	0.9900	C38—H38A	0.9900
C1B—H1D	0.9900	C38—H38B	0.9900
C2B—C3B	1.546 (9)	C39—C40	1.475 (8)
C2B—H2C	0.9900	C39—H39A	0.9900
C2B—H2D	0.9900	C39—H39B	0.9900
C3B—C4B	1.510 (7)	C40—H40A	0.9800
C3B—H3C	0.9900	C40—H40B	0.9800
C3B—H3D	0.9900	C40—H40C	0.9800
C4B—H4D	0.9800	C41—C42	1.532 (7)
C4B—H4E	0.9800	C41—H41A	0.9900
C4B—H4F	0.9800	C41—H41B	0.9900
C5B—C6B	1.513 (7)	C42—C43	1.517 (8)
C5B—H5C	0.9900	C42—H42A	0.9900
C5B—H5D	0.9900	C42—H42B	0.9900
C6B—C7B	1.551 (8)	C43—C44	1.527 (9)
C6B—H6C	0.9900	C43—H43A	0.9900
C6B—H6D	0.9900	C43—H43B	0.9900
C7B—C8B	1.480 (12)	C44—H44A	0.9800
C7B—H7C	0.9900	C44—H44B	0.9800
C7B—H7D	0.9900	C44—H44C	0.9800
C8B—H8D	0.9800	C45—C46	1.505 (6)
C8B—H8E	0.9800	C45—H45A	0.9900
C8B—H8F	0.9800	C45—H45B	0.9900
C9B—C10B	1.520 (9)	C46—C47B	1.45 (2)
C9B—H9C	0.9900	C46—C47A	1.611 (9)
C9B—H9D	0.9900	C46—H46A	0.9900
C10B—C11B	1.528 (10)	C46—H46B	0.9900
C10B—H10C	0.9900	C46—H46C	0.9900
C10B—H10D	0.9900	C46—H46D	0.9900
C11B—C12B	1.72 (2)	C47A—C48	1.446 (9)
C11B—H11C	0.9900	C47A—H47A	0.9900
C11B—H11D	0.9900	C47A—H47B	0.9900
C12B—H12D	0.9800	C47B—C48	1.42 (2)
C12B—H12E	0.9800	C47B—H47C	0.9900
C12B—H12F	0.9800	C47B—H47D	0.9900
C13B—C14B	1.487 (9)	C48—H48A	0.9800
C13B—H13C	0.9900	C48—H48B	0.9800
C13B—H13D	0.9900	C48—H48C	0.9800
C14B—C15B	1.527 (9)	C48—H48D	0.9800
C14B—H14C	0.9900	C48—H48E	0.9800
C14B—H14D	0.9900	C48—H48F	0.9800
C15B—C16B	1.499 (12)

O3—Pt1—O3ⁱ	180.0	C9B—C10B—H10D	109.8
O3—Pt1—O2ⁱ	83.84 (9)	C11B—C10B—H10D	109.8
O3ⁱ—Pt1—O2ⁱ	96.16 (9)	H10C—C10B—H10D	108.2
O3—Pt1—O2	96.16 (9)	C10B—C11B—C12B	98.3 (9)
O3ⁱ—Pt1—O2	83.84 (9)	C10B—C11B—H11C	112.1
O2ⁱ—Pt1—O2	180.00 (5)	C12B—C11B—H11C	112.1
O3—Pt1—O1	95.83 (9)	C10B—C11B—H11D	112.1
O3ⁱ—Pt1—O1	84.17 (9)	C12B—C11B—H11D	112.1
O2ⁱ—Pt1—O1	83.49 (9)	H11C—C11B—H11D	109.7
O2—Pt1—O1	96.51 (9)	C11B—C12B—H12D	109.5
O3—Pt1—O1ⁱ	84.17 (9)	C11B—C12B—H12E	109.5
O3ⁱ—Pt1—O1ⁱ	95.83 (9)	H12D—C12B—H12E	109.5
O2ⁱ—Pt1—O1ⁱ	96.51 (9)	C11B—C12B—H12F	109.5
O2—Pt1—O1ⁱ	83.49 (9)	H12D—C12B—H12F	109.5
O1—Pt1—O1ⁱ	180.0	H12E—C12B—H12F	109.5
O8—Mo1—O7	106.03 (11)	C14B—C13B—N1B	116.5 (4)
O8—Mo1—O4	97.09 (10)	C14B—C13B—H13C	108.2
O7—Mo1—O4	100.67 (11)	N1B—C13B—H13C	108.2
O8—Mo1—O5	101.62 (10)	C14B—C13B—H13D	108.2
O7—Mo1—O5	95.43 (10)	N1B—C13B—H13D	108.2
O4—Mo1—O5	150.85 (9)	H13C—C13B—H13D	107.3
O8—Mo1—O2ⁱ	92.01 (10)	C13B—C14B—C15B	109.2 (6)
O7—Mo1—O2ⁱ	159.66 (10)	C13B—C14B—H14C	109.8
O4—Mo1—O2ⁱ	86.00 (9)	C15B—C14B—H14C	109.8
O5—Mo1—O2ⁱ	71.29 (8)	C13B—C14B—H14D	109.8
O8—Mo1—O1	159.30 (10)	C15B—C14B—H14D	109.8
O7—Mo1—O1	92.79 (10)	H14C—C14B—H14D	108.3
O4—Mo1—O1	70.45 (8)	C16B—C15B—C14B	114.2 (8)
O5—Mo1—O1	84.73 (8)	C16B—C15B—H15C	108.7
O2ⁱ—Mo1—O1	71.18 (7)	C14B—C15B—H15C	108.7
O9—Mo2—O10	106.92 (12)	C16B—C15B—H15D	108.7
O9—Mo2—O5	101.49 (10)	C14B—C15B—H15D	108.7
O10—Mo2—O5	96.61 (10)	H15C—C15B—H15D	107.6
O9—Mo2—O6	97.57 (10)	C15B—C16B—H16D	109.5
O10—Mo2—O6	100.10 (10)	C15B—C16B—H16E	109.5
O5—Mo2—O6	149.72 (9)	H16D—C16B—H16E	109.5
O9—Mo2—O2ⁱ	96.05 (10)	C15B—C16B—H16F	109.5
O10—Mo2—O2ⁱ	156.13 (10)	H16D—C16B—H16F	109.5
O5—Mo2—O2ⁱ	71.94 (9)	H16E—C16B—H16F	109.5
O6—Mo2—O2ⁱ	82.89 (9)	C5C—N1C—C9C	112.3 (12)
O9—Mo2—O3	163.15 (10)	C5C—N1C—C13C	107.2 (12)
O10—Mo2—O3	87.41 (10)	C9C—N1C—C13C	106.7 (12)
O5—Mo2—O3	85.19 (8)	C5C—N1C—C1C	108.0 (11)
O6—Mo2—O3	70.62 (8)	C9C—N1C—C1C	113.6 (12)
O2ⁱ—Mo2—O3	71.11 (7)	C13C—N1C—C1C	108.8 (13)
O11—Mo3—O12	105.57 (12)	C2C—C1C—N1C	116.5 (15)
O11—Mo3—O6	101.39 (10)	C2C—C1C—H1E	108.2
O12—Mo3—O6	99.41 (10)	N1C—C1C—H1E	108.2
O11—Mo3—O4ⁱ	96.97 (10)	C2C—C1C—H1F	108.2
O12—Mo3—O4ⁱ	100.48 (11)	N1C—C1C—H1F	108.2
O6—Mo3—O4ⁱ	148.10 (9)	H1E—C1C—H1F	107.3
O11—Mo3—O1ⁱ	158.68 (10)	C1C—C2C—C3C	109.4 (16)
O12—Mo3—O1ⁱ	94.08 (10)	C1C—C2C—H2E	109.8
O6—Mo3—O1ⁱ	83.09 (9)	C3C—C2C—H2E	109.8
O4ⁱ—Mo3—O1ⁱ	70.86 (8)	C1C—C2C—H2F	109.8
O11—Mo3—O3	90.32 (9)	C3C—C2C—H2F	109.8
O12—Mo3—O3	163.27 (10)	H2E—C2C—H2F	108.2
O6—Mo3—O3	71.75 (8)	C4C—C3C—C2C	115 (2)
O4ⁱ—Mo3—O3	82.36 (8)	C4C—C3C—H3E	108.6
O1ⁱ—Mo3—O3	71.12 (7)	C2C—C3C—H3E	108.6
Pt1—O1—Mo3ⁱ	102.72 (9)	C4C—C3C—H3F	108.6
Pt1—O1—Mo1	101.68 (9)	C2C—C3C—H3F	108.6
Mo3ⁱ—O1—Mo1	94.29 (8)	H3E—C3C—H3F	107.6
Pt1—O1—H1	119 (3)	C3C—C4C—H4G	109.5
Mo3ⁱ—O1—H1	120 (3)	C3C—C4C—H4H	109.5
Mo1—O1—H1	114 (3)	H4G—C4C—H4H	109.5
Pt1—O2—Mo2ⁱ	104.30 (9)	C3C—C4C—H4I	109.5
Pt1—O2—Mo1ⁱ	103.60 (9)	H4G—C4C—H4I	109.5
Mo2ⁱ—O2—Mo1ⁱ	95.17 (8)	H4H—C4C—H4I	109.5
Pt1—O2—H2	112 (3)	C6C—C5C—N1C	117.8 (12)
Mo2ⁱ—O2—H2	114 (3)	C6C—C5C—H5E	107.8
Mo1ⁱ—O2—H2	125 (3)	N1C—C5C—H5E	107.8
Pt1—O3—Mo3	101.94 (9)	C6C—C5C—H5F	107.8
Pt1—O3—Mo2	100.74 (9)	N1C—C5C—H5F	107.8
Mo3—O3—Mo2	92.22 (8)	H5E—C5C—H5F	107.2
Pt1—O3—H3	113 (3)	C5C—C6C—C7C	107 (2)
Mo3—O3—H3	117 (3)	C5C—C6C—H6E	110.3
Mo2—O3—H3	128 (3)	C7C—C6C—H6E	110.3
Mo1—O4—Mo3ⁱ	120.49 (11)	C5C—C6C—H6F	110.3
Mo2—O5—Mo1	117.40 (11)	C7C—C6C—H6F	110.3
Mo3—O6—Mo2	120.48 (11)	H6E—C6C—H6F	108.6
O15—Pt2—O15ⁱⁱ	82.96 (12)	C8C—C7C—C6C	120 (3)
O15—Pt2—O13	96.99 (9)	C8C—C7C—H7E	107.3
O15ⁱⁱ—Pt2—O13	179.87 (11)	C6C—C7C—H7E	107.3
O15—Pt2—O13ⁱⁱ	179.87 (11)	C8C—C7C—H7F	107.3
O15ⁱⁱ—Pt2—O13ⁱⁱ	96.99 (9)	C6C—C7C—H7F	107.3
O13—Pt2—O13ⁱⁱ	83.06 (13)	H7E—C7C—H7F	106.9
O15—Pt2—O14ⁱⁱ	84.68 (9)	C7C—C8C—H8G	109.5
O15ⁱⁱ—Pt2—O14ⁱⁱ	96.08 (9)	C7C—C8C—H8H	109.5
O13—Pt2—O14ⁱⁱ	83.80 (9)	H8G—C8C—H8H	109.5
O13ⁱⁱ—Pt2—O14ⁱⁱ	95.44 (9)	C7C—C8C—H8I	109.5
O15—Pt2—O14	96.07 (9)	H8G—C8C—H8I	109.5
O15ⁱⁱ—Pt2—O14	84.68 (9)	H8H—C8C—H8I	109.5
O13—Pt2—O14	95.44 (9)	N1C—C9C—C10C	115.2 (14)
O13ⁱⁱ—Pt2—O14	83.80 (9)	N1C—C9C—H9E	108.5
O14ⁱⁱ—Pt2—O14	178.99 (13)	C10C—C9C—H9E	108.5
O19ⁱⁱ—Mo4—O19	107.40 (19)	N1C—C9C—H9F	108.5
O19ⁱⁱ—Mo4—O16	100.22 (11)	C10C—C9C—H9F	108.5
O19—Mo4—O16	97.04 (11)	H9E—C9C—H9F	107.5
O19ⁱⁱ—Mo4—O16ⁱⁱ	97.04 (11)	C11C—C10C—C9C	109.6 (17)
O19—Mo4—O16ⁱⁱ	100.22 (11)	C11C—C10C—H10E	109.7
O16—Mo4—O16ⁱⁱ	150.64 (13)	C9C—C10C—H10E	109.7
O19ⁱⁱ—Mo4—O13ⁱⁱ	91.86 (11)	C11C—C10C—H10F	109.7
O19—Mo4—O13ⁱⁱ	159.23 (11)	C9C—C10C—H10F	109.7
O16—Mo4—O13ⁱⁱ	71.30 (9)	H10E—C10C—H10F	108.2
O16ⁱⁱ—Mo4—O13ⁱⁱ	84.63 (9)	C12C—C11C—C10C	117 (2)
O19ⁱⁱ—Mo4—O13	159.23 (11)	C12C—C11C—H11E	108.0
O19—Mo4—O13	91.86 (11)	C10C—C11C—H11E	108.0
O16—Mo4—O13	84.63 (9)	C12C—C11C—H11F	108.0
O16ⁱⁱ—Mo4—O13	71.30 (9)	C10C—C11C—H11F	108.0
O13ⁱⁱ—Mo4—O13	70.42 (10)	H11E—C11C—H11F	107.3
O20—Mo5—O21	106.02 (13)	C11C—C12C—H12G	109.5
O20—Mo5—O16	101.13 (11)	C11C—C12C—H12H	109.5
O21—Mo5—O16	97.45 (11)	H12G—C12C—H12H	109.5
O20—Mo5—O17	97.41 (11)	C11C—C12C—H12I	109.5
O21—Mo5—O17	100.92 (11)	H12G—C12C—H12I	109.5
O16—Mo5—O17	149.10 (10)	H12H—C12C—H12I	109.5
O20—Mo5—O13ⁱⁱ	91.89 (10)	C14C—C13C—N1C	116.7 (16)
O21—Mo5—O13ⁱⁱ	160.92 (10)	C14C—C13C—H13E	108.1
O16—Mo5—O13ⁱⁱ	72.14 (9)	N1C—C13C—H13E	108.1
O17—Mo5—O13ⁱⁱ	82.81 (9)	C14C—C13C—H13F	108.1
O20—Mo5—O14	159.88 (10)	N1C—C13C—H13F	108.1
O21—Mo5—O14	92.32 (10)	H13E—C13C—H13F	107.3
O16—Mo5—O14	84.21 (9)	C13C—C14C—C15C	113.9 (19)
O17—Mo5—O14	70.49 (8)	C13C—C14C—H14E	108.8
O13ⁱⁱ—Mo5—O14	71.11 (8)	C15C—C14C—H14E	108.8
O23—Mo6—O22	105.73 (13)	C13C—C14C—H14F	108.8
O23—Mo6—O17	98.07 (11)	C15C—C14C—H14F	108.8
O22—Mo6—O17	100.89 (11)	H14E—C14C—H14F	107.7
O23—Mo6—O18	101.94 (11)	C16C—C15C—C14C	111 (2)
O22—Mo6—O18	95.09 (11)	C16C—C15C—H15E	109.5
O17—Mo6—O18	149.89 (10)	C14C—C15C—H15E	109.5
O23—Mo6—O15ⁱⁱ	93.14 (11)	C16C—C15C—H15F	109.5
O22—Mo6—O15ⁱⁱ	159.16 (10)	C14C—C15C—H15F	109.5
O17—Mo6—O15ⁱⁱ	84.77 (9)	H15E—C15C—H15F	108.0
O18—Mo6—O15ⁱⁱ	71.96 (9)	C15C—C16C—H16G	109.5
O23—Mo6—O14	161.14 (10)	C15C—C16C—H16H	109.5
O22—Mo6—O14	91.26 (10)	H16G—C16C—H16H	109.5
O17—Mo6—O14	70.16 (8)	C15C—C16C—H16I	109.5
O18—Mo6—O14	84.24 (9)	H16G—C16C—H16I	109.5
O15ⁱⁱ—Mo6—O14	71.64 (7)	H16H—C16C—H16I	109.5
O24—Mo7—O24ⁱⁱ	106.41 (17)	C21—N2—C29	106.3 (3)
O24—Mo7—O18	96.54 (11)	C21—N2—C25	110.9 (3)
O24ⁱⁱ—Mo7—O18	99.96 (11)	C29—N2—C25	111.1 (3)
O24—Mo7—O18ⁱⁱ	99.96 (11)	C21—N2—C17	110.9 (3)
O24ⁱⁱ—Mo7—O18ⁱⁱ	96.54 (11)	C29—N2—C17	111.0 (3)
O18—Mo7—O18ⁱⁱ	152.30 (13)	C25—N2—C17	106.6 (3)
O24—Mo7—O15ⁱⁱ	159.68 (10)	C18—C17—N2	115.6 (3)
O24ⁱⁱ—Mo7—O15ⁱⁱ	92.06 (10)	C18—C17—H17A	108.4
O18—Mo7—O15ⁱⁱ	71.42 (9)	N2—C17—H17A	108.4
O18ⁱⁱ—Mo7—O15ⁱⁱ	85.96 (9)	C18—C17—H17B	108.4
O24—Mo7—O15	92.06 (10)	N2—C17—H17B	108.4
O24ⁱⁱ—Mo7—O15	159.68 (10)	H17A—C17—H17B	107.4
O18—Mo7—O15	85.96 (9)	C19—C18—C17	110.0 (3)
O18ⁱⁱ—Mo7—O15	71.42 (9)	C19—C18—H18A	109.7
O15ⁱⁱ—Mo7—O15	71.26 (11)	C17—C18—H18A	109.7
Pt2—O13—Mo5ⁱⁱ	103.57 (9)	C19—C18—H18B	109.7
Pt2—O13—Mo4	103.26 (9)	C17—C18—H18B	109.7
Mo5ⁱⁱ—O13—Mo4	93.56 (8)	H18A—C18—H18B	108.2
Pt2—O13—H13	114 (3)	C18—C19—C20	112.6 (3)
Mo5ⁱⁱ—O13—H13	110 (3)	C18—C19—H19A	109.1
Mo4—O13—H13	128 (3)	C20—C19—H19A	109.1
Pt2—O14—Mo5	101.51 (9)	C18—C19—H19B	109.1
Pt2—O14—Mo6	99.96 (9)	C20—C19—H19B	109.1
Mo5—O14—Mo6	93.12 (8)	H19A—C19—H19B	107.8
Pt2—O14—H14	112 (3)	C19—C20—H20A	109.5
Mo5—O14—H14	119 (3)	C19—C20—H20B	109.5
Mo6—O14—H14	127 (3)	H20A—C20—H20B	109.5
Pt2—O15—Mo6ⁱⁱ	103.67 (9)	C19—C20—H20C	109.5
Pt2—O15—Mo7	102.89 (9)	H20A—C20—H20C	109.5
Mo6ⁱⁱ—O15—Mo7	95.03 (8)	H20B—C20—H20C	109.5
Pt2—O15—H15	116 (3)	C22—C21—N2	115.5 (3)
Mo6ⁱⁱ—O15—H15	128 (3)	C22—C21—H21A	108.4
Mo7—O15—H15	107 (3)	N2—C21—H21A	108.4
Mo5—O16—Mo4	118.54 (11)	C22—C21—H21B	108.4
Mo6—O17—Mo5	122.35 (11)	N2—C21—H21B	108.4
Mo6—O18—Mo7	117.70 (11)	H21A—C21—H21B	107.5
O27—Pt3—O29	93.70 (10)	C21—C22—C23	109.9 (3)
O27—Pt3—O28	178.75 (9)	C21—C22—H22A	109.7
O29—Pt3—O28	87.48 (9)	C23—C22—H22A	109.7
O27—Pt3—O25	90.80 (10)	C21—C22—H22B	109.7
O29—Pt3—O25	91.00 (9)	C23—C22—H22B	109.7
O28—Pt3—O25	88.78 (10)	H22A—C22—H22B	108.2
O27—Pt3—O26	89.44 (9)	C24—C23—C22	112.3 (3)
O29—Pt3—O26	176.85 (10)	C24—C23—H23A	109.1
O28—Pt3—O26	89.38 (9)	C22—C23—H23A	109.1
O25—Pt3—O26	88.63 (9)	C24—C23—H23B	109.1
O27—Pt3—O30	90.62 (10)	C22—C23—H23B	109.1
O29—Pt3—O30	90.51 (9)	H23A—C23—H23B	107.9
O28—Pt3—O30	89.77 (10)	C23—C24—H24A	109.5
O25—Pt3—O30	177.86 (10)	C23—C24—H24B	109.5
O26—Pt3—O30	89.78 (9)	H24A—C24—H24B	109.5
Pt3—O25—H25	105 (3)	C23—C24—H24C	109.5
Pt3—O26—H26	113 (3)	H24A—C24—H24C	109.5
Pt3—O27—H27	117 (3)	H24B—C24—H24C	109.5
Pt3—O28—H28	106 (3)	N2—C25—C26	115.3 (3)
Pt3—O29—H29	109 (3)	N2—C25—H25A	108.4
Pt3—O30—H30	109 (3)	C26—C25—H25A	108.4
C1A—N1A—C5A	106.2 (4)	N2—C25—H25B	108.4
C1A—N1A—C13A	111.0 (4)	C26—C25—H25B	108.4
C5A—N1A—C13A	111.3 (4)	H25A—C25—H25B	107.5
C1A—N1A—C9A	110.7 (5)	C25—C26—C27	110.6 (3)
C5A—N1A—C9A	110.9 (4)	C25—C26—H26A	109.5
C13A—N1A—C9A	106.8 (4)	C27—C26—H26A	109.5
N1A—C1A—C2A	114.6 (4)	C25—C26—H26B	109.5
N1A—C1A—H1A	108.6	C27—C26—H26B	109.5
C2A—C1A—H1A	108.6	H26A—C26—H26B	108.1
N1A—C1A—H1B	108.6	C28—C27—C26	113.7 (4)
C2A—C1A—H1B	108.6	C28—C27—H27A	108.8
H1A—C1A—H1B	107.6	C26—C27—H27A	108.8
C1A—C2A—C3A	110.7 (5)	C28—C27—H27B	108.8
C1A—C2A—H2A	109.5	C26—C27—H27B	108.8
C3A—C2A—H2A	109.5	H27A—C27—H27B	107.7
C1A—C2A—H2B	109.5	C27—C28—H28A	109.5
C3A—C2A—H2B	109.5	C27—C28—H28B	109.5
H2A—C2A—H2B	108.1	H28A—C28—H28B	109.5
C4A—C3A—C2A	110.9 (4)	C27—C28—H28C	109.5
C4A—C3A—H3A	109.5	H28A—C28—H28C	109.5
C2A—C3A—H3A	109.5	H28B—C28—H28C	109.5
C4A—C3A—H3B	109.5	C30—C29—N2	115.5 (3)
C2A—C3A—H3B	109.5	C30—C29—H29A	108.4
H3A—C3A—H3B	108.1	N2—C29—H29A	108.4
C3A—C4A—H4A	109.5	C30—C29—H29B	108.4
C3A—C4A—H4B	109.5	N2—C29—H29B	108.4
H4A—C4A—H4B	109.5	H29A—C29—H29B	107.5
C3A—C4A—H4C	109.5	C29—C30—C31	109.9 (4)
H4A—C4A—H4C	109.5	C29—C30—H30A	109.7
H4B—C4A—H4C	109.5	C31—C30—H30A	109.7
N1A—C5A—C6A	115.7 (4)	C29—C30—H30B	109.7
N1A—C5A—H5A	108.3	C31—C30—H30B	109.7
C6A—C5A—H5A	108.3	H30A—C30—H30B	108.2
N1A—C5A—H5B	108.3	C32—C31—C30	112.5 (5)
C6A—C5A—H5B	108.3	C32—C31—H31A	109.1
H5A—C5A—H5B	107.4	C30—C31—H31A	109.1
C5A—C6A—C7A	109.8 (5)	C32—C31—H31B	109.1
C5A—C6A—H6A	109.7	C30—C31—H31B	109.1
C7A—C6A—H6A	109.7	H31A—C31—H31B	107.8
C5A—C6A—H6B	109.7	C31—C32—H32A	109.5
C7A—C6A—H6B	109.7	C31—C32—H32B	109.5
H6A—C6A—H6B	108.2	H32A—C32—H32B	109.5
C8A—C7A—C6A	112.4 (5)	C31—C32—H32C	109.5
C8A—C7A—H7A	109.1	H32A—C32—H32C	109.5
C6A—C7A—H7A	109.1	H32B—C32—H32C	109.5
C8A—C7A—H7B	109.1	C41—N3—C45	111.6 (3)
C6A—C7A—H7B	109.1	C41—N3—C33	111.2 (3)
H7A—C7A—H7B	107.9	C45—N3—C33	106.0 (3)
C7A—C8A—H8A	109.5	C41—N3—C37	106.4 (3)
C7A—C8A—H8B	109.5	C45—N3—C37	110.4 (3)
H8A—C8A—H8B	109.5	C33—N3—C37	111.3 (3)
C7A—C8A—H8C	109.5	N3—C33—C34	116.0 (3)
H8A—C8A—H8C	109.5	N3—C33—H33A	108.3
H8B—C8A—H8C	109.5	C34—C33—H33A	108.3
C10A—C9A—N1A	116.0 (5)	N3—C33—H33B	108.3
C10A—C9A—H9A	108.3	C34—C33—H33B	108.3
N1A—C9A—H9A	108.3	H33A—C33—H33B	107.4
C10A—C9A—H9B	108.3	C33—C34—C35	110.8 (3)
N1A—C9A—H9B	108.3	C33—C34—H34A	109.5
H9A—C9A—H9B	107.4	C35—C34—H34A	109.5
C9A—C10A—C11A	109.5 (6)	C33—C34—H34B	109.5
C9A—C10A—H10A	109.8	C35—C34—H34B	109.5
C11A—C10A—H10A	109.8	H34A—C34—H34B	108.1
C9A—C10A—H10B	109.8	C36—C35—C34	113.8 (4)
C11A—C10A—H10B	109.8	C36—C35—H35A	108.8
H10A—C10A—H10B	108.2	C34—C35—H35A	108.8
C12A—C11A—C10A	116.5 (8)	C36—C35—H35B	108.8
C12A—C11A—H11A	108.2	C34—C35—H35B	108.8
C10A—C11A—H11A	108.2	H35A—C35—H35B	107.7
C12A—C11A—H11B	108.2	C35—C36—H36A	109.5
C10A—C11A—H11B	108.2	C35—C36—H36B	109.5
H11A—C11A—H11B	107.3	H36A—C36—H36B	109.5
C11A—C12A—H12A	109.5	C35—C36—H36C	109.5
C11A—C12A—H12B	109.5	H36A—C36—H36C	109.5
H12A—C12A—H12B	109.5	H36B—C36—H36C	109.5
C11A—C12A—H12C	109.5	N3—C37—C38	115.4 (3)
H12A—C12A—H12C	109.5	N3—C37—H37A	108.4
H12B—C12A—H12C	109.5	C38—C37—H37A	108.4
C14A—C13A—N1A	116.5 (4)	N3—C37—H37B	108.4
C14A—C13A—H13A	108.2	C38—C37—H37B	108.4
N1A—C13A—H13A	108.2	H37A—C37—H37B	107.5
C14A—C13A—H13B	108.2	C37—C38—C39	109.4 (4)
N1A—C13A—H13B	108.2	C37—C38—H38A	109.8
H13A—C13A—H13B	107.3	C39—C38—H38A	109.8
C13A—C14A—C15A	109.2 (6)	C37—C38—H38B	109.8
C13A—C14A—H14A	109.8	C39—C38—H38B	109.8
C15A—C14A—H14A	109.8	H38A—C38—H38B	108.2
C13A—C14A—H14B	109.8	C40—C39—C38	113.0 (4)
C15A—C14A—H14B	109.8	C40—C39—H39A	109.0
H14A—C14A—H14B	108.3	C38—C39—H39A	109.0
C16A—C15A—C14A	114.2 (8)	C40—C39—H39B	109.0
C16A—C15A—H15A	108.7	C38—C39—H39B	109.0
C14A—C15A—H15A	108.7	H39A—C39—H39B	107.8
C16A—C15A—H15B	108.7	C39—C40—H40A	109.5
C14A—C15A—H15B	108.7	C39—C40—H40B	109.5
H15A—C15A—H15B	107.6	H40A—C40—H40B	109.5
C15A—C16A—H16A	109.5	C39—C40—H40C	109.5
C15A—C16A—H16B	109.5	H40A—C40—H40C	109.5
H16A—C16A—H16B	109.5	H40B—C40—H40C	109.5
C15A—C16A—H16C	109.5	N3—C41—C42	114.9 (4)
H16A—C16A—H16C	109.5	N3—C41—H41A	108.5
H16B—C16A—H16C	109.5	C42—C41—H41A	108.5
C1B—N1B—C5B	106.2 (4)	N3—C41—H41B	108.5
C1B—N1B—C13B	111.0 (4)	C42—C41—H41B	108.5
C5B—N1B—C13B	111.3 (4)	H41A—C41—H41B	107.5
C1B—N1B—C9B	110.7 (5)	C43—C42—C41	108.7 (5)
C5B—N1B—C9B	110.9 (4)	C43—C42—H42A	109.9
C13B—N1B—C9B	106.8 (4)	C41—C42—H42A	109.9
N1B—C1B—C2B	114.6 (4)	C43—C42—H42B	109.9
N1B—C1B—H1C	108.6	C41—C42—H42B	109.9
C2B—C1B—H1C	108.6	H42A—C42—H42B	108.3
N1B—C1B—H1D	108.6	C42—C43—C44	109.3 (6)
C2B—C1B—H1D	108.6	C42—C43—H43A	109.8
H1C—C1B—H1D	107.6	C44—C43—H43A	109.8
C1B—C2B—C3B	110.7 (5)	C42—C43—H43B	109.8
C1B—C2B—H2C	109.5	C44—C43—H43B	109.8
C3B—C2B—H2C	109.5	H43A—C43—H43B	108.3
C1B—C2B—H2D	109.5	C43—C44—H44A	109.5
C3B—C2B—H2D	109.5	C43—C44—H44B	109.5
H2C—C2B—H2D	108.1	H44A—C44—H44B	109.5
C4B—C3B—C2B	110.9 (4)	C43—C44—H44C	109.5
C4B—C3B—H3C	109.5	H44A—C44—H44C	109.5
C2B—C3B—H3C	109.5	H44B—C44—H44C	109.5
C4B—C3B—H3D	109.5	C46—C45—N3	116.2 (4)
C2B—C3B—H3D	109.5	C46—C45—H45A	108.2
H3C—C3B—H3D	108.1	N3—C45—H45A	108.2
C3B—C4B—H4D	109.5	C46—C45—H45B	108.2
C3B—C4B—H4E	109.5	N3—C45—H45B	108.2
H4D—C4B—H4E	109.5	H45A—C45—H45B	107.4
C3B—C4B—H4F	109.5	C47B—C46—C45	123.5 (9)
H4D—C4B—H4F	109.5	C45—C46—C47A	107.4 (4)
H4E—C4B—H4F	109.5	C45—C46—H46A	110.2
N1B—C5B—C6B	115.7 (4)	C47A—C46—H46A	110.2
N1B—C5B—H5C	108.3	C45—C46—H46B	110.2
C6B—C5B—H5C	108.3	C47A—C46—H46B	110.2
N1B—C5B—H5D	108.3	H46A—C46—H46B	108.5
C6B—C5B—H5D	108.3	C47B—C46—H46C	106.5
H5C—C5B—H5D	107.4	C45—C46—H46C	106.5
C5B—C6B—C7B	109.8 (5)	C47B—C46—H46D	106.5
C5B—C6B—H6C	109.7	C45—C46—H46D	106.5
C7B—C6B—H6C	109.7	H46C—C46—H46D	106.5
C5B—C6B—H6D	109.7	C48—C47A—C46	110.8 (6)
C7B—C6B—H6D	109.7	C48—C47A—H47A	109.5
H6C—C6B—H6D	108.2	C46—C47A—H47A	109.5
C8B—C7B—C6B	112.4 (5)	C48—C47A—H47B	109.5
C8B—C7B—H7C	109.1	C46—C47A—H47B	109.5
C6B—C7B—H7C	109.1	H47A—C47A—H47B	108.1
C8B—C7B—H7D	109.1	C48—C47B—C46	122.3 (15)
C6B—C7B—H7D	109.1	C48—C47B—H47C	106.7
H7C—C7B—H7D	107.9	C46—C47B—H47C	106.7
C7B—C8B—H8D	109.5	C48—C47B—H47D	106.7
C7B—C8B—H8E	109.5	C46—C47B—H47D	106.7
H8D—C8B—H8E	109.5	H47C—C47B—H47D	106.6
C7B—C8B—H8F	109.5	C47A—C48—H48A	109.5
H8D—C8B—H8F	109.5	C47A—C48—H48B	109.5
H8E—C8B—H8F	109.5	H48A—C48—H48B	109.5
C10B—C9B—N1B	116.0 (5)	C47A—C48—H48C	109.5
C10B—C9B—H9C	108.3	H48A—C48—H48C	109.5
N1B—C9B—H9C	108.3	H48B—C48—H48C	109.5
C10B—C9B—H9D	108.3	C47B—C48—H48D	109.5
N1B—C9B—H9D	108.3	C47B—C48—H48E	109.5
H9C—C9B—H9D	107.4	H48D—C48—H48E	109.5
C9B—C10B—C11B	109.5 (6)	C47B—C48—H48F	109.5
C9B—C10B—H10C	109.8	H48D—C48—H48F	109.5
C11B—C10B—H10C	109.8	H48E—C48—H48F	109.5

Symmetry codes: (i) −x+1/2, −y+1/2, −z; (ii) −x, y, −z+1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···O25	0.82 (2)	1.71 (2)	2.532 (3)	179 (4)
O2—H2···O26	0.83 (2)	1.62 (2)	2.446 (3)	171 (4)
O3—H3···O27	0.83 (2)	1.78 (2)	2.605 (3)	174 (4)
O13—H13···O28	0.81 (2)	1.67 (2)	2.474 (3)	174 (4)
O14—H14···O29	0.81 (2)	1.82 (2)	2.615 (3)	169 (4)
O15—H15···O30	0.81 (2)	1.70 (2)	2.506 (3)	176 (4)
O25—H25···O31	0.81 (2)	1.96 (2)	2.768 (4)	177 (4)
O26—H26···O32	0.81 (2)	2.01 (2)	2.786 (4)	163 (4)
O27—H27···O35	0.80 (2)	2.34 (3)	3.078 (4)	154 (4)
O28—H28···O34	0.81 (2)	2.17 (2)	2.972 (3)	175 (4)
O29—H29···O35	0.81 (2)	2.04 (2)	2.853 (4)	174 (4)
O30—H30···O36	0.81 (2)	2.03 (2)	2.830 (4)	172 (4)

Funding information

Funding for this research was provided by: JSPS KAKENHI Grant 26286001.

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