metal-organic compounds
(Thiocyanato-κS)tris(triphenylphosphane-κP)silver(I)
aDepartment of Chemistry, Boston University, Massachusetts 02215, USA, and bDepartment of Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand
*Correspondence e-mail: yupa.t@psu.ac.th
In the mononuclear title complex, [Ag(SCN)(C18H15P)3], the AgI center is in a slightly distorted tetrahedral coordination geometry formed by one S atom from a terminal thiocyanate ligand and three P atoms from three triphenylphosphane ligands. In the crystal, weak C—H⋯N hydrogen bonds connect molecules into a two-dimensional network parallel to (10). One of the phenyl rings is disordered over two positions which were refined with an occupancy ratio of 0.715 (16):0.285 (16).
Keywords: crystal structure; hydrogen bonding; silver(I); thiocyanate.
CCDC reference: 1569028
Structure description
Silver(I) complexes with phosphorus and sulfur donor ligands have been of increasing interest because of the variety of their biological properties such as antibacterial, anti-inflammatory (Papanikolaou et al., 2015) and antitumor (Liu et al., 2008), as well as showing interesting luminescence properties (Ferrari et al., 2007). Herein, we report the of a silver(I) thiocyanate complex containing triphenylphosphane. The title complex was prepared by reacting silver(I) thiocyanate and triphenylphosphane (PPh3), followed by the addition of 1-(4-nitrophenyl)-2-thiourea, NPTU, in acetonitrile. An unexpected complex, [Ag(C18H15P)3(SCN)], was formed in high yield (74%) with no NPTU (Fig. 1). In the mononuclear complex, the AgI center is in a slightly distorted tetrahedral coordination geometry formed by one S atom from the terminal thiocyanate ligand, and three P atoms from three triphenylphosphane ligands. The Ag—S bond length of 2.6128 (3) Å is slightly shorter than in [Ag(SCN){P(4-MeC6H4)3}3] [2.6613 (7) Å; Omondi et al., 2009]. The angles at the AgI ion vary from 94.327 (10)° to 117.910 (10)°. In the crystal, the molecules are connected via weak C3—H3⋯N1i, C40—H40⋯N1ii and C46—H46⋯N1iii hydrogen bonds, leading to the formation of a two-dimensional network parallel to (10) (Fig. 2 and Table 1).
Synthesis and crystallization
Triphenylphosphane, PPh3 (0.27 g, 1.03 mmol) was dissolved in acetonitrile (30 ml) at 339 K and then silver(I) thiocyanate, AgSCN (0.08 g, 0.48 mmol) was added. The mixture was stirred for 3 h after which 1-(4-nitrophenyl)-2-thiourea, NPTU (0.1 g, 0.51 mmol) was added. The resulting reaction mixture was heated under reflux for 6 h during which time the precipitate gradually disappeared. The resulting yellow solution was filtered and left to evaporate at room temperature. The crystalline complex, which deposited upon standing after a few days, was filtered off and dried in vacuo (0.24 g, 74% yield). M.p. 445–447 K. IR bands (KBr, cm−1): 3375 (m), 3292 (w), 3179 (m), 3002 (w), 2368 (m), 2345 (m), 1509 (w), 1340 (s), 1243 (m), 1109 (m), 1056 (m), 879 (w), 830 (w), 808 (m), 748 (w), 692 (m), 511 (w), 418 (m).
Refinement
Crystal data, data collection and structure . A number of reflections. i.e. (02), (11), (012), (112), (202), (210), (141), (12), (21), (13,17,6), (16,13,10), (,18,6), (5,4,12), (12,18,5), (14,15,10), (344), (571), (15,16,1), (,19,3), (13,17,4), (103), (9,9,22), (9,7,15), (7,5,17), (5,4,10), (11,12,19), (234), (,13,3) and (13,17,0) were omitted from the final owing to poor agreement. Disorder in one of the phenyl was resolved over two positions with a refined occupancy ratio of 0.715 (16):0.285 (16). The C13/C13B atoms were common to both orientations. The Uij components of the ADP's were restrained to be similar for atoms closer to each other than 1.7 Å (SIMU).
details are summarized in Table 2Structural data
CCDC reference: 1569028
https://doi.org/10.1107/S2414314617011853/tk4035sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2414314617011853/tk4035Isup2.hkl
Data collection: APEX3 (Bruker, 2016); cell
SAINT (Bruker, 2016); data reduction: SAINT (Bruker, 2016); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: publCIF (Westrip, 2010).[Ag(NCS)(C18H15P)3] | F(000) = 1960 |
Mr = 952.76 | Dx = 1.402 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 18.1884 (10) Å | Cell parameters from 9970 reflections |
b = 13.5886 (7) Å | θ = 3.4–36.3° |
c = 18.3224 (10) Å | µ = 0.64 mm−1 |
β = 94.711 (2)° | T = 100 K |
V = 4513.2 (4) Å3 | Block, colourless |
Z = 4 | 0.55 × 0.45 × 0.40 mm |
Bruker AXS D8 Quest CMOS diffractometer | 18408 independent reflections |
Radiation source: sealed tube X-ray source | 16598 reflections with I > 2σ(I) |
Triumph curved graphite crystal monochromator | Rint = 0.014 |
ω and φi scans | θmax = 36.4°, θmin = 3.2° |
Absorption correction: multi-scan (APEX3; Bruker, 2016) | h = −22→30 |
Tmin = 0.673, Tmax = 0.747 | k = −18→21 |
35349 measured reflections | l = −30→17 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.027 | H-atom parameters constrained |
wR(F2) = 0.068 | w = 1/[σ2(Fo2) + (0.0152P)2 + 3.9007P] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 | (Δ/σ)max = 0.002 |
18408 reflections | Δρmax = 0.88 e Å−3 |
597 parameters | Δρmin = −0.95 e Å−3 |
192 restraints | Extinction correction: SHELXL2014 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.000262 |
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. One phenyl ring was refined as disordered. The two moieties were restrained to have similar geometries and Uij components of ADPs were restrained to be similar for atoms closer than 1.7 Angstrom. The ipso carbon atom was not included in the disorder. Occupancies refined to 0.715 (16) to 0.28 (5). All H atoms attached to carbon atoms were positioned geometrically and constrained to ride on their parent atoms, with C—H = 0.95 Å. Uiso(H) values were set to 1.2Ueq(C). |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ag1 | 0.26601 (2) | 0.17828 (2) | 0.00411 (2) | 0.01458 (2) | |
S1 | 0.32976 (2) | 0.25597 (3) | 0.12349 (2) | 0.02206 (6) | |
P1 | 0.23375 (2) | 0.00665 (2) | 0.04613 (2) | 0.01421 (5) | |
P2 | 0.15358 (2) | 0.30707 (2) | −0.00563 (2) | 0.01333 (5) | |
P3 | 0.33118 (2) | 0.18985 (2) | −0.11004 (2) | 0.01245 (5) | |
N1 | 0.47680 (7) | 0.29965 (10) | 0.09709 (9) | 0.0324 (3) | |
C1 | 0.30071 (6) | −0.09262 (8) | 0.04243 (6) | 0.01542 (18) | |
C2 | 0.33764 (7) | −0.10148 (9) | −0.02128 (6) | 0.01743 (19) | |
H2 | 0.3274 | −0.0562 | −0.0603 | 0.021* | |
C3 | 0.38914 (7) | −0.17563 (9) | −0.02825 (6) | 0.01842 (19) | |
H3 | 0.4137 | −0.1810 | −0.0719 | 0.022* | |
C4 | 0.40473 (7) | −0.24203 (9) | 0.02873 (6) | 0.0188 (2) | |
H4 | 0.4401 | −0.2927 | 0.0243 | 0.023* | |
C5 | 0.36828 (7) | −0.23374 (9) | 0.09211 (6) | 0.0204 (2) | |
H5 | 0.3789 | −0.2791 | 0.1310 | 0.024* | |
C6 | 0.31640 (7) | −0.15979 (9) | 0.09935 (6) | 0.0186 (2) | |
H6 | 0.2917 | −0.1550 | 0.1429 | 0.022* | |
C7 | 0.20648 (6) | −0.00109 (8) | 0.13949 (6) | 0.01578 (18) | |
C8 | 0.25345 (7) | 0.04010 (11) | 0.19551 (6) | 0.0237 (2) | |
H8 | 0.2986 | 0.0695 | 0.1844 | 0.028* | |
C9 | 0.23452 (8) | 0.03820 (11) | 0.26750 (7) | 0.0265 (3) | |
H9 | 0.2669 | 0.0657 | 0.3054 | 0.032* | |
C10 | 0.16826 (7) | −0.00397 (10) | 0.28404 (6) | 0.0219 (2) | |
H10 | 0.1549 | −0.0043 | 0.3331 | 0.026* | |
C11 | 0.12191 (7) | −0.04540 (10) | 0.22893 (7) | 0.0228 (2) | |
H11 | 0.0768 | −0.0745 | 0.2403 | 0.027* | |
C12 | 0.14089 (7) | −0.04478 (10) | 0.15683 (6) | 0.0199 (2) | |
H12 | 0.1090 | −0.0743 | 0.1194 | 0.024* | |
C13 | 0.15535 (7) | −0.03948 (9) | −0.01221 (6) | 0.0184 (2) | 0.715 (16) |
C14 | 0.1448 (3) | −0.1397 (3) | −0.0261 (3) | 0.0286 (7) | 0.715 (16) |
H14 | 0.1771 | −0.1868 | −0.0023 | 0.034* | 0.715 (16) |
C15 | 0.0864 (3) | −0.1706 (4) | −0.0751 (3) | 0.0370 (8) | 0.715 (16) |
H15 | 0.0794 | −0.2387 | −0.0849 | 0.044* | 0.715 (16) |
C16 | 0.0392 (3) | −0.1035 (5) | −0.1090 (4) | 0.0366 (10) | 0.715 (16) |
H16 | −0.0011 | −0.1253 | −0.1413 | 0.044* | 0.715 (16) |
C17 | 0.0501 (2) | −0.0039 (4) | −0.0965 (3) | 0.0346 (8) | 0.715 (16) |
H17 | 0.0179 | 0.0428 | −0.1210 | 0.041* | 0.715 (16) |
C18 | 0.1081 (2) | 0.0278 (3) | −0.0481 (3) | 0.0255 (6) | 0.715 (16) |
H18 | 0.1153 | 0.0962 | −0.0395 | 0.031* | 0.715 (16) |
C13B | 0.15535 (7) | −0.03948 (9) | −0.01221 (6) | 0.0184 (2) | 0.285 (16) |
C14B | 0.1464 (7) | −0.1320 (8) | −0.0427 (6) | 0.0288 (16) | 0.285 (16) |
H14B | 0.1828 | −0.1812 | −0.0321 | 0.035* | 0.285 (16) |
C15B | 0.0837 (8) | −0.1532 (10) | −0.0892 (7) | 0.0358 (18) | 0.285 (16) |
H15B | 0.0774 | −0.2174 | −0.1093 | 0.043* | 0.285 (16) |
C16B | 0.0310 (10) | −0.0830 (11) | −0.1064 (11) | 0.0330 (19) | 0.285 (16) |
H16B | −0.0104 | −0.0978 | −0.1396 | 0.040* | 0.285 (16) |
C17B | 0.0383 (6) | 0.0084 (7) | −0.0754 (7) | 0.0328 (16) | 0.285 (16) |
H17B | 0.0011 | 0.0566 | −0.0857 | 0.039* | 0.285 (16) |
C18B | 0.1000 (6) | 0.0306 (8) | −0.0291 (7) | 0.0275 (15) | 0.285 (16) |
H18B | 0.1049 | 0.0945 | −0.0083 | 0.033* | 0.285 (16) |
C19 | 0.12105 (6) | 0.32699 (9) | 0.08470 (6) | 0.01555 (18) | |
C20 | 0.13199 (7) | 0.25301 (9) | 0.13697 (6) | 0.01797 (19) | |
H20 | 0.1558 | 0.1936 | 0.1250 | 0.022* | |
C21 | 0.10814 (8) | 0.26562 (10) | 0.20675 (6) | 0.0229 (2) | |
H21 | 0.1158 | 0.2148 | 0.2421 | 0.027* | |
C22 | 0.07325 (8) | 0.35212 (10) | 0.22482 (6) | 0.0230 (2) | |
H22 | 0.0567 | 0.3604 | 0.2723 | 0.028* | |
C23 | 0.06272 (8) | 0.42658 (10) | 0.17301 (7) | 0.0242 (2) | |
H23 | 0.0390 | 0.4859 | 0.1851 | 0.029* | |
C24 | 0.08678 (7) | 0.41458 (10) | 0.10358 (6) | 0.0217 (2) | |
H24 | 0.0799 | 0.4661 | 0.0687 | 0.026* | |
C25 | 0.06837 (6) | 0.29596 (9) | −0.06609 (6) | 0.01584 (18) | |
C26 | −0.00128 (7) | 0.32053 (12) | −0.04485 (7) | 0.0263 (3) | |
H26 | −0.0064 | 0.3422 | 0.0038 | 0.032* | |
C27 | −0.06330 (8) | 0.31351 (13) | −0.09442 (9) | 0.0306 (3) | |
H27 | −0.1104 | 0.3306 | −0.0793 | 0.037* | |
C28 | −0.05700 (7) | 0.28185 (10) | −0.16557 (8) | 0.0242 (2) | |
H28 | −0.0994 | 0.2777 | −0.1993 | 0.029* | |
C29 | 0.01187 (7) | 0.25637 (10) | −0.18700 (7) | 0.0220 (2) | |
H29 | 0.0166 | 0.2343 | −0.2356 | 0.026* | |
C30 | 0.07406 (7) | 0.26298 (9) | −0.13763 (6) | 0.0190 (2) | |
H30 | 0.1209 | 0.2449 | −0.1528 | 0.023* | |
C31 | 0.18532 (6) | 0.43102 (9) | −0.02609 (6) | 0.01644 (18) | |
C32 | 0.16240 (10) | 0.48334 (11) | −0.08871 (7) | 0.0318 (3) | |
H32 | 0.1271 | 0.4555 | −0.1239 | 0.038* | |
C33 | 0.19094 (12) | 0.57683 (12) | −0.10029 (8) | 0.0415 (4) | |
H33 | 0.1750 | 0.6124 | −0.1434 | 0.050* | |
C34 | 0.24236 (10) | 0.61804 (11) | −0.04932 (8) | 0.0303 (3) | |
H34 | 0.2619 | 0.6816 | −0.0574 | 0.036* | |
C35 | 0.26504 (8) | 0.56624 (10) | 0.01329 (8) | 0.0256 (2) | |
H35 | 0.2999 | 0.5946 | 0.0486 | 0.031* | |
C36 | 0.23721 (7) | 0.47303 (10) | 0.02494 (7) | 0.0219 (2) | |
H36 | 0.2536 | 0.4376 | 0.0679 | 0.026* | |
C37 | 0.26260 (6) | 0.18834 (9) | −0.18794 (6) | 0.01470 (17) | |
C38 | 0.21575 (6) | 0.10661 (9) | −0.19572 (6) | 0.0187 (2) | |
H38 | 0.2210 | 0.0546 | −0.1611 | 0.022* | |
C39 | 0.16174 (7) | 0.10095 (10) | −0.25368 (7) | 0.0220 (2) | |
H39 | 0.1312 | 0.0443 | −0.2593 | 0.026* | |
C40 | 0.15213 (7) | 0.17778 (11) | −0.30343 (7) | 0.0226 (2) | |
H40 | 0.1150 | 0.1740 | −0.3430 | 0.027* | |
C41 | 0.19707 (7) | 0.26011 (10) | −0.29506 (6) | 0.0220 (2) | |
H41 | 0.1899 | 0.3133 | −0.3285 | 0.026* | |
C42 | 0.25269 (7) | 0.26558 (9) | −0.23798 (6) | 0.01769 (19) | |
H42 | 0.2837 | 0.3218 | −0.2332 | 0.021* | |
C43 | 0.38650 (6) | 0.29955 (8) | −0.12092 (6) | 0.01403 (17) | |
C44 | 0.38381 (7) | 0.37536 (9) | −0.07008 (6) | 0.01840 (19) | |
H44 | 0.3519 | 0.3702 | −0.0317 | 0.022* | |
C45 | 0.42769 (7) | 0.45866 (10) | −0.07527 (7) | 0.0228 (2) | |
H45 | 0.4252 | 0.5105 | −0.0408 | 0.027* | |
C46 | 0.47497 (7) | 0.46606 (9) | −0.13071 (7) | 0.0220 (2) | |
H46 | 0.5054 | 0.5225 | −0.1338 | 0.026* | |
C47 | 0.47766 (7) | 0.39092 (9) | −0.18164 (7) | 0.0210 (2) | |
H47 | 0.5097 | 0.3963 | −0.2198 | 0.025* | |
C48 | 0.43372 (6) | 0.30783 (9) | −0.17714 (6) | 0.01781 (19) | |
H48 | 0.4358 | 0.2567 | −0.2122 | 0.021* | |
C49 | 0.39554 (6) | 0.09351 (8) | −0.13276 (5) | 0.01357 (17) | |
C50 | 0.45835 (6) | 0.08074 (9) | −0.08460 (6) | 0.01700 (19) | |
H50 | 0.4652 | 0.1204 | −0.0419 | 0.020* | |
C51 | 0.51089 (7) | 0.01063 (9) | −0.09859 (7) | 0.0194 (2) | |
H51 | 0.5540 | 0.0037 | −0.0661 | 0.023* | |
C52 | 0.50052 (7) | −0.04948 (9) | −0.16009 (6) | 0.0187 (2) | |
H52 | 0.5363 | −0.0977 | −0.1696 | 0.022* | |
C53 | 0.43760 (7) | −0.03841 (9) | −0.20743 (6) | 0.0188 (2) | |
H53 | 0.4299 | −0.0801 | −0.2490 | 0.023* | |
C54 | 0.38552 (6) | 0.03338 (9) | −0.19448 (6) | 0.01629 (18) | |
H54 | 0.3431 | 0.0414 | −0.2278 | 0.020* | |
C55 | 0.41587 (7) | 0.28107 (9) | 0.10648 (7) | 0.0206 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.01684 (4) | 0.01539 (4) | 0.01166 (3) | −0.00341 (3) | 0.00210 (2) | −0.00063 (2) |
S1 | 0.02313 (14) | 0.02779 (15) | 0.01479 (10) | −0.00642 (11) | −0.00123 (10) | −0.00447 (10) |
P1 | 0.01547 (12) | 0.01409 (12) | 0.01254 (10) | −0.00292 (9) | −0.00198 (9) | 0.00205 (9) |
P2 | 0.01477 (11) | 0.01392 (12) | 0.01151 (10) | −0.00087 (9) | 0.00237 (8) | −0.00050 (8) |
P3 | 0.01244 (11) | 0.01482 (12) | 0.01006 (9) | −0.00165 (9) | 0.00071 (8) | −0.00044 (8) |
N1 | 0.0219 (5) | 0.0280 (6) | 0.0460 (7) | −0.0024 (4) | −0.0053 (5) | −0.0027 (5) |
C1 | 0.0180 (5) | 0.0142 (5) | 0.0136 (4) | −0.0023 (4) | −0.0013 (3) | 0.0014 (3) |
C2 | 0.0208 (5) | 0.0169 (5) | 0.0141 (4) | −0.0032 (4) | −0.0009 (4) | 0.0014 (3) |
C3 | 0.0208 (5) | 0.0180 (5) | 0.0163 (4) | −0.0035 (4) | 0.0003 (4) | −0.0018 (4) |
C4 | 0.0208 (5) | 0.0158 (5) | 0.0191 (4) | −0.0012 (4) | −0.0026 (4) | −0.0021 (4) |
C5 | 0.0263 (6) | 0.0173 (5) | 0.0167 (4) | 0.0003 (4) | −0.0031 (4) | 0.0020 (4) |
C6 | 0.0229 (5) | 0.0185 (5) | 0.0142 (4) | 0.0008 (4) | −0.0003 (4) | 0.0032 (4) |
C7 | 0.0177 (5) | 0.0152 (5) | 0.0141 (4) | −0.0006 (4) | −0.0007 (3) | 0.0023 (3) |
C8 | 0.0249 (6) | 0.0308 (7) | 0.0149 (4) | −0.0105 (5) | −0.0021 (4) | 0.0020 (4) |
C9 | 0.0312 (7) | 0.0335 (7) | 0.0140 (4) | −0.0079 (5) | −0.0034 (4) | 0.0021 (4) |
C10 | 0.0283 (6) | 0.0216 (6) | 0.0161 (4) | 0.0022 (4) | 0.0027 (4) | 0.0029 (4) |
C11 | 0.0223 (5) | 0.0263 (6) | 0.0203 (5) | −0.0025 (4) | 0.0051 (4) | −0.0001 (4) |
C12 | 0.0187 (5) | 0.0229 (6) | 0.0181 (4) | −0.0040 (4) | 0.0015 (4) | −0.0014 (4) |
C13 | 0.0185 (5) | 0.0218 (5) | 0.0142 (4) | −0.0070 (4) | −0.0024 (3) | 0.0032 (4) |
C14 | 0.0375 (13) | 0.0239 (11) | 0.0223 (15) | −0.0125 (9) | −0.0104 (13) | 0.0014 (10) |
C15 | 0.0478 (15) | 0.0327 (16) | 0.0280 (16) | −0.0222 (13) | −0.0124 (13) | 0.0030 (11) |
C16 | 0.0317 (19) | 0.052 (2) | 0.0239 (11) | −0.0253 (18) | −0.0106 (14) | 0.0073 (18) |
C17 | 0.0235 (12) | 0.0497 (18) | 0.0283 (15) | −0.0089 (11) | −0.0113 (10) | 0.0094 (13) |
C18 | 0.0217 (10) | 0.0295 (11) | 0.0236 (14) | −0.0053 (8) | −0.0072 (10) | 0.0073 (11) |
C13B | 0.0185 (5) | 0.0218 (5) | 0.0142 (4) | −0.0070 (4) | −0.0024 (3) | 0.0032 (4) |
C14B | 0.036 (3) | 0.030 (3) | 0.019 (3) | −0.002 (2) | −0.004 (3) | −0.004 (2) |
C15B | 0.043 (3) | 0.037 (4) | 0.026 (3) | −0.015 (3) | −0.006 (3) | −0.004 (3) |
C16B | 0.032 (3) | 0.039 (4) | 0.026 (3) | −0.006 (3) | −0.014 (2) | 0.012 (3) |
C17B | 0.029 (3) | 0.034 (3) | 0.033 (3) | −0.005 (2) | −0.014 (3) | 0.005 (3) |
C18B | 0.024 (3) | 0.031 (3) | 0.026 (3) | −0.004 (2) | −0.011 (2) | 0.007 (3) |
C19 | 0.0168 (4) | 0.0174 (5) | 0.0128 (4) | −0.0011 (4) | 0.0029 (3) | −0.0011 (3) |
C20 | 0.0227 (5) | 0.0171 (5) | 0.0145 (4) | −0.0016 (4) | 0.0037 (4) | 0.0003 (4) |
C21 | 0.0325 (6) | 0.0225 (6) | 0.0144 (4) | −0.0023 (5) | 0.0051 (4) | 0.0018 (4) |
C22 | 0.0279 (6) | 0.0272 (6) | 0.0146 (4) | −0.0021 (5) | 0.0063 (4) | −0.0022 (4) |
C23 | 0.0305 (6) | 0.0245 (6) | 0.0186 (5) | 0.0049 (5) | 0.0084 (4) | −0.0021 (4) |
C24 | 0.0280 (6) | 0.0211 (6) | 0.0168 (4) | 0.0051 (4) | 0.0066 (4) | 0.0010 (4) |
C25 | 0.0158 (4) | 0.0164 (5) | 0.0154 (4) | −0.0018 (4) | 0.0021 (3) | 0.0007 (3) |
C26 | 0.0181 (5) | 0.0391 (8) | 0.0217 (5) | 0.0022 (5) | 0.0019 (4) | −0.0047 (5) |
C27 | 0.0172 (5) | 0.0431 (8) | 0.0311 (6) | 0.0042 (5) | −0.0001 (5) | −0.0022 (6) |
C28 | 0.0203 (5) | 0.0246 (6) | 0.0265 (5) | −0.0030 (4) | −0.0050 (4) | 0.0035 (5) |
C29 | 0.0234 (5) | 0.0239 (6) | 0.0179 (4) | −0.0045 (4) | −0.0025 (4) | 0.0006 (4) |
C30 | 0.0185 (5) | 0.0224 (5) | 0.0162 (4) | −0.0026 (4) | 0.0015 (4) | −0.0018 (4) |
C31 | 0.0199 (5) | 0.0154 (5) | 0.0144 (4) | −0.0027 (4) | 0.0041 (3) | −0.0010 (3) |
C32 | 0.0530 (9) | 0.0230 (6) | 0.0176 (5) | −0.0137 (6) | −0.0072 (5) | 0.0045 (4) |
C33 | 0.0750 (13) | 0.0251 (7) | 0.0223 (6) | −0.0184 (8) | −0.0079 (7) | 0.0087 (5) |
C34 | 0.0488 (9) | 0.0186 (6) | 0.0243 (5) | −0.0114 (6) | 0.0072 (6) | 0.0001 (5) |
C35 | 0.0294 (6) | 0.0190 (6) | 0.0284 (6) | −0.0071 (5) | 0.0023 (5) | −0.0033 (5) |
C36 | 0.0239 (5) | 0.0182 (5) | 0.0230 (5) | −0.0035 (4) | −0.0014 (4) | 0.0003 (4) |
C37 | 0.0127 (4) | 0.0187 (5) | 0.0126 (4) | 0.0001 (3) | 0.0002 (3) | −0.0009 (3) |
C38 | 0.0170 (5) | 0.0206 (5) | 0.0181 (4) | −0.0027 (4) | −0.0012 (4) | −0.0002 (4) |
C39 | 0.0185 (5) | 0.0256 (6) | 0.0213 (5) | −0.0032 (4) | −0.0027 (4) | −0.0047 (4) |
C40 | 0.0184 (5) | 0.0320 (7) | 0.0166 (4) | 0.0026 (4) | −0.0037 (4) | −0.0043 (4) |
C41 | 0.0227 (5) | 0.0266 (6) | 0.0160 (4) | 0.0042 (4) | −0.0033 (4) | 0.0016 (4) |
C42 | 0.0186 (5) | 0.0197 (5) | 0.0145 (4) | 0.0005 (4) | −0.0003 (4) | 0.0014 (4) |
C43 | 0.0146 (4) | 0.0138 (4) | 0.0136 (4) | −0.0011 (3) | 0.0002 (3) | −0.0001 (3) |
C44 | 0.0196 (5) | 0.0185 (5) | 0.0170 (4) | −0.0025 (4) | 0.0014 (4) | −0.0033 (4) |
C45 | 0.0257 (6) | 0.0170 (5) | 0.0250 (5) | −0.0042 (4) | −0.0010 (4) | −0.0038 (4) |
C46 | 0.0193 (5) | 0.0170 (5) | 0.0291 (6) | −0.0035 (4) | −0.0024 (4) | 0.0041 (4) |
C47 | 0.0189 (5) | 0.0197 (5) | 0.0249 (5) | −0.0017 (4) | 0.0046 (4) | 0.0052 (4) |
C48 | 0.0184 (5) | 0.0175 (5) | 0.0181 (4) | −0.0013 (4) | 0.0046 (4) | 0.0004 (4) |
C49 | 0.0144 (4) | 0.0143 (4) | 0.0119 (3) | −0.0015 (3) | 0.0007 (3) | 0.0005 (3) |
C50 | 0.0161 (4) | 0.0185 (5) | 0.0159 (4) | −0.0017 (4) | −0.0015 (3) | −0.0008 (4) |
C51 | 0.0159 (5) | 0.0217 (5) | 0.0201 (4) | 0.0004 (4) | −0.0011 (4) | 0.0021 (4) |
C52 | 0.0198 (5) | 0.0161 (5) | 0.0207 (4) | 0.0022 (4) | 0.0047 (4) | 0.0032 (4) |
C53 | 0.0228 (5) | 0.0176 (5) | 0.0163 (4) | 0.0012 (4) | 0.0029 (4) | −0.0017 (4) |
C54 | 0.0174 (5) | 0.0185 (5) | 0.0127 (4) | 0.0004 (4) | −0.0003 (3) | −0.0008 (3) |
C55 | 0.0243 (5) | 0.0131 (5) | 0.0230 (5) | 0.0009 (4) | −0.0070 (4) | −0.0010 (4) |
Ag1—P3 | 2.4923 (3) | C20—H20 | 0.9500 |
Ag1—P1 | 2.5399 (3) | C21—C22 | 1.3886 (19) |
Ag1—S1 | 2.6128 (3) | C21—H21 | 0.9500 |
Ag1—P2 | 2.6863 (3) | C22—C23 | 1.3900 (19) |
S1—C55 | 1.6574 (14) | C22—H22 | 0.9500 |
P1—C13B | 1.8216 (12) | C23—C24 | 1.3884 (16) |
P1—C13 | 1.8216 (12) | C23—H23 | 0.9500 |
P1—C1 | 1.8224 (12) | C24—H24 | 0.9500 |
P1—C7 | 1.8228 (11) | C25—C26 | 1.3959 (17) |
P2—C19 | 1.8231 (10) | C25—C30 | 1.3972 (16) |
P2—C31 | 1.8293 (12) | C26—C27 | 1.3922 (19) |
P2—C25 | 1.8358 (12) | C26—H26 | 0.9500 |
P3—C37 | 1.8169 (11) | C27—C28 | 1.386 (2) |
P3—C43 | 1.8184 (11) | C27—H27 | 0.9500 |
P3—C49 | 1.8269 (11) | C28—C29 | 1.3871 (19) |
N1—C55 | 1.1630 (18) | C28—H28 | 0.9500 |
C1—C6 | 1.3976 (15) | C29—C30 | 1.3920 (17) |
C1—C2 | 1.3989 (15) | C29—H29 | 0.9500 |
C2—C3 | 1.3888 (17) | C30—H30 | 0.9500 |
C2—H2 | 0.9500 | C31—C32 | 1.3846 (18) |
C3—C4 | 1.3913 (17) | C31—C36 | 1.3950 (17) |
C3—H3 | 0.9500 | C32—C33 | 1.395 (2) |
C4—C5 | 1.3883 (17) | C32—H32 | 0.9500 |
C4—H4 | 0.9500 | C33—C34 | 1.385 (2) |
C5—C6 | 1.3922 (18) | C33—H33 | 0.9500 |
C5—H5 | 0.9500 | C34—C35 | 1.380 (2) |
C6—H6 | 0.9500 | C34—H34 | 0.9500 |
C7—C12 | 1.3924 (16) | C35—C36 | 1.3870 (18) |
C7—C8 | 1.3974 (16) | C35—H35 | 0.9500 |
C8—C9 | 1.3905 (17) | C36—H36 | 0.9500 |
C8—H8 | 0.9500 | C37—C42 | 1.3956 (16) |
C9—C10 | 1.3902 (19) | C37—C38 | 1.4000 (16) |
C9—H9 | 0.9500 | C38—C39 | 1.3884 (17) |
C10—C11 | 1.3811 (19) | C38—H38 | 0.9500 |
C10—H10 | 0.9500 | C39—C40 | 1.3875 (19) |
C11—C12 | 1.3926 (17) | C39—H39 | 0.9500 |
C11—H11 | 0.9500 | C40—C41 | 1.3865 (19) |
C12—H12 | 0.9500 | C40—H40 | 0.9500 |
C13—C18 | 1.384 (4) | C41—C42 | 1.3960 (16) |
C13—C14 | 1.396 (4) | C41—H41 | 0.9500 |
C14—C15 | 1.398 (5) | C42—H42 | 0.9500 |
C14—H14 | 0.9500 | C43—C44 | 1.3924 (15) |
C15—C16 | 1.366 (6) | C43—C48 | 1.3989 (15) |
C15—H15 | 0.9500 | C44—C45 | 1.3927 (17) |
C16—C17 | 1.385 (5) | C44—H44 | 0.9500 |
C16—H16 | 0.9500 | C45—C46 | 1.3875 (19) |
C17—C18 | 1.390 (4) | C45—H45 | 0.9500 |
C17—H17 | 0.9500 | C46—C47 | 1.3868 (19) |
C18—H18 | 0.9500 | C46—H46 | 0.9500 |
C13B—C14B | 1.380 (10) | C47—C48 | 1.3896 (17) |
C13B—C18B | 1.402 (9) | C47—H47 | 0.9500 |
C14B—C15B | 1.397 (12) | C48—H48 | 0.9500 |
C14B—H14B | 0.9500 | C49—C54 | 1.3948 (15) |
C15B—C16B | 1.369 (12) | C49—C50 | 1.3959 (15) |
C15B—H15B | 0.9500 | C50—C51 | 1.3880 (17) |
C16B—C17B | 1.367 (12) | C50—H50 | 0.9500 |
C16B—H16B | 0.9500 | C51—C52 | 1.3920 (18) |
C17B—C18B | 1.383 (10) | C51—H51 | 0.9500 |
C17B—H17B | 0.9500 | C52—C53 | 1.3861 (17) |
C18B—H18B | 0.9500 | C52—H52 | 0.9500 |
C19—C20 | 1.3913 (16) | C53—C54 | 1.3936 (16) |
C19—C24 | 1.4001 (17) | C53—H53 | 0.9500 |
C20—C21 | 1.3941 (16) | C54—H54 | 0.9500 |
P3—Ag1—P1 | 116.740 (10) | C21—C20—H20 | 119.8 |
P3—Ag1—S1 | 117.910 (10) | C22—C21—C20 | 120.37 (11) |
P1—Ag1—S1 | 102.412 (10) | C22—C21—H21 | 119.8 |
P3—Ag1—P2 | 108.367 (9) | C20—C21—H21 | 119.8 |
P1—Ag1—P2 | 115.139 (10) | C21—C22—C23 | 119.56 (11) |
S1—Ag1—P2 | 94.327 (10) | C21—C22—H22 | 120.2 |
C55—S1—Ag1 | 106.68 (4) | C23—C22—H22 | 120.2 |
C13B—P1—C1 | 102.52 (6) | C24—C23—C22 | 120.28 (12) |
C13—P1—C1 | 102.52 (6) | C24—C23—H23 | 119.9 |
C13B—P1—C7 | 105.70 (5) | C22—C23—H23 | 119.9 |
C13—P1—C7 | 105.70 (5) | C23—C24—C19 | 120.43 (11) |
C1—P1—C7 | 103.09 (5) | C23—C24—H24 | 119.8 |
C13B—P1—Ag1 | 109.11 (4) | C19—C24—H24 | 119.8 |
C13—P1—Ag1 | 109.11 (4) | C26—C25—C30 | 118.51 (11) |
C1—P1—Ag1 | 119.78 (4) | C26—C25—P2 | 123.54 (9) |
C7—P1—Ag1 | 115.14 (4) | C30—C25—P2 | 117.94 (9) |
C19—P2—C31 | 100.41 (5) | C27—C26—C25 | 120.45 (12) |
C19—P2—C25 | 103.84 (5) | C27—C26—H26 | 119.8 |
C31—P2—C25 | 102.54 (5) | C25—C26—H26 | 119.8 |
C19—P2—Ag1 | 109.78 (4) | C28—C27—C26 | 120.65 (13) |
C31—P2—Ag1 | 111.23 (4) | C28—C27—H27 | 119.7 |
C25—P2—Ag1 | 125.94 (4) | C26—C27—H27 | 119.7 |
C37—P3—C43 | 105.88 (5) | C27—C28—C29 | 119.33 (12) |
C37—P3—C49 | 102.96 (5) | C27—C28—H28 | 120.3 |
C43—P3—C49 | 101.06 (5) | C29—C28—H28 | 120.3 |
C37—P3—Ag1 | 108.38 (3) | C28—C29—C30 | 120.30 (12) |
C43—P3—Ag1 | 116.69 (3) | C28—C29—H29 | 119.9 |
C49—P3—Ag1 | 120.25 (3) | C30—C29—H29 | 119.9 |
C6—C1—C2 | 118.94 (11) | C29—C30—C25 | 120.76 (11) |
C6—C1—P1 | 123.49 (9) | C29—C30—H30 | 119.6 |
C2—C1—P1 | 117.57 (8) | C25—C30—H30 | 119.6 |
C3—C2—C1 | 120.86 (10) | C32—C31—C36 | 119.10 (11) |
C3—C2—H2 | 119.6 | C32—C31—P2 | 124.34 (10) |
C1—C2—H2 | 119.6 | C36—C31—P2 | 116.55 (9) |
C2—C3—C4 | 119.93 (11) | C31—C32—C33 | 120.21 (13) |
C2—C3—H3 | 120.0 | C31—C32—H32 | 119.9 |
C4—C3—H3 | 120.0 | C33—C32—H32 | 119.9 |
C5—C4—C3 | 119.55 (11) | C34—C33—C32 | 120.32 (14) |
C5—C4—H4 | 120.2 | C34—C33—H33 | 119.8 |
C3—C4—H4 | 120.2 | C32—C33—H33 | 119.8 |
C4—C5—C6 | 120.81 (11) | C35—C34—C33 | 119.58 (13) |
C4—C5—H5 | 119.6 | C35—C34—H34 | 120.2 |
C6—C5—H5 | 119.6 | C33—C34—H34 | 120.2 |
C5—C6—C1 | 119.92 (11) | C34—C35—C36 | 120.39 (13) |
C5—C6—H6 | 120.0 | C34—C35—H35 | 119.8 |
C1—C6—H6 | 120.0 | C36—C35—H35 | 119.8 |
C12—C7—C8 | 119.12 (10) | C35—C36—C31 | 120.40 (12) |
C12—C7—P1 | 122.89 (9) | C35—C36—H36 | 119.8 |
C8—C7—P1 | 117.98 (9) | C31—C36—H36 | 119.8 |
C9—C8—C7 | 120.35 (12) | C42—C37—C38 | 119.01 (10) |
C9—C8—H8 | 119.8 | C42—C37—P3 | 123.43 (9) |
C7—C8—H8 | 119.8 | C38—C37—P3 | 117.51 (8) |
C10—C9—C8 | 120.07 (12) | C39—C38—C37 | 120.56 (11) |
C10—C9—H9 | 120.0 | C39—C38—H38 | 119.7 |
C8—C9—H9 | 120.0 | C37—C38—H38 | 119.7 |
C11—C10—C9 | 119.77 (11) | C40—C39—C38 | 120.25 (12) |
C11—C10—H10 | 120.1 | C40—C39—H39 | 119.9 |
C9—C10—H10 | 120.1 | C38—C39—H39 | 119.9 |
C10—C11—C12 | 120.48 (12) | C41—C40—C39 | 119.55 (11) |
C10—C11—H11 | 119.8 | C41—C40—H40 | 120.2 |
C12—C11—H11 | 119.8 | C39—C40—H40 | 120.2 |
C7—C12—C11 | 120.19 (11) | C40—C41—C42 | 120.67 (12) |
C7—C12—H12 | 119.9 | C40—C41—H41 | 119.7 |
C11—C12—H12 | 119.9 | C42—C41—H41 | 119.7 |
C18—C13—C14 | 119.2 (3) | C37—C42—C41 | 119.92 (11) |
C18—C13—P1 | 118.50 (19) | C37—C42—H42 | 120.0 |
C14—C13—P1 | 122.1 (2) | C41—C42—H42 | 120.0 |
C13—C14—C15 | 119.7 (4) | C44—C43—C48 | 119.38 (10) |
C13—C14—H14 | 120.2 | C44—C43—P3 | 118.88 (8) |
C15—C14—H14 | 120.2 | C48—C43—P3 | 121.69 (8) |
C16—C15—C14 | 120.6 (4) | C43—C44—C45 | 120.25 (11) |
C16—C15—H15 | 119.7 | C43—C44—H44 | 119.9 |
C14—C15—H15 | 119.7 | C45—C44—H44 | 119.9 |
C15—C16—C17 | 120.1 (4) | C46—C45—C44 | 120.13 (12) |
C15—C16—H16 | 120.0 | C46—C45—H45 | 119.9 |
C17—C16—H16 | 120.0 | C44—C45—H45 | 119.9 |
C16—C17—C18 | 120.0 (4) | C47—C46—C45 | 119.84 (11) |
C16—C17—H17 | 120.0 | C47—C46—H46 | 120.1 |
C18—C17—H17 | 120.0 | C45—C46—H46 | 120.1 |
C13—C18—C17 | 120.5 (3) | C46—C47—C48 | 120.39 (11) |
C13—C18—H18 | 119.7 | C46—C47—H47 | 119.8 |
C17—C18—H18 | 119.7 | C48—C47—H47 | 119.8 |
C14B—C13B—C18B | 118.0 (6) | C47—C48—C43 | 120.00 (11) |
C14B—C13B—P1 | 127.7 (5) | C47—C48—H48 | 120.0 |
C18B—C13B—P1 | 114.2 (4) | C43—C48—H48 | 120.0 |
C13B—C14B—C15B | 119.9 (9) | C54—C49—C50 | 119.03 (10) |
C13B—C14B—H14B | 120.1 | C54—C49—P3 | 124.13 (8) |
C15B—C14B—H14B | 120.1 | C50—C49—P3 | 116.84 (8) |
C16B—C15B—C14B | 121.1 (11) | C51—C50—C49 | 120.58 (10) |
C16B—C15B—H15B | 119.4 | C51—C50—H50 | 119.7 |
C14B—C15B—H15B | 119.4 | C49—C50—H50 | 119.7 |
C17B—C16B—C15B | 119.7 (12) | C50—C51—C52 | 120.17 (11) |
C17B—C16B—H16B | 120.2 | C50—C51—H51 | 119.9 |
C15B—C16B—H16B | 120.2 | C52—C51—H51 | 119.9 |
C16B—C17B—C18B | 119.9 (9) | C53—C52—C51 | 119.53 (11) |
C16B—C17B—H17B | 120.0 | C53—C52—H52 | 120.2 |
C18B—C17B—H17B | 120.0 | C51—C52—H52 | 120.2 |
C17B—C18B—C13B | 121.3 (8) | C52—C53—C54 | 120.48 (11) |
C17B—C18B—H18B | 119.4 | C52—C53—H53 | 119.8 |
C13B—C18B—H18B | 119.4 | C54—C53—H53 | 119.8 |
C20—C19—C24 | 119.05 (10) | C53—C54—C49 | 120.18 (10) |
C20—C19—P2 | 118.61 (9) | C53—C54—H54 | 119.9 |
C24—C19—P2 | 122.33 (9) | C49—C54—H54 | 119.9 |
C19—C20—C21 | 120.31 (11) | N1—C55—S1 | 177.60 (13) |
C19—C20—H20 | 119.8 | ||
C13B—P1—C1—C6 | −103.90 (10) | C20—C19—C24—C23 | −1.31 (19) |
C13—P1—C1—C6 | −103.90 (10) | P2—C19—C24—C23 | 179.88 (11) |
C7—P1—C1—C6 | 5.75 (11) | C19—P2—C25—C26 | 12.39 (13) |
Ag1—P1—C1—C6 | 135.21 (9) | C31—P2—C25—C26 | −91.82 (12) |
C13B—P1—C1—C2 | 75.74 (10) | Ag1—P2—C25—C26 | 139.91 (10) |
C13—P1—C1—C2 | 75.74 (10) | C19—P2—C25—C30 | −168.95 (9) |
C7—P1—C1—C2 | −174.62 (9) | C31—P2—C25—C30 | 86.84 (10) |
Ag1—P1—C1—C2 | −45.15 (10) | Ag1—P2—C25—C30 | −41.43 (11) |
C6—C1—C2—C3 | 0.00 (17) | C30—C25—C26—C27 | −0.9 (2) |
P1—C1—C2—C3 | −179.65 (9) | P2—C25—C26—C27 | 177.74 (12) |
C1—C2—C3—C4 | −0.25 (18) | C25—C26—C27—C28 | 0.1 (2) |
C2—C3—C4—C5 | 0.27 (18) | C26—C27—C28—C29 | 0.5 (2) |
C3—C4—C5—C6 | −0.05 (19) | C27—C28—C29—C30 | −0.3 (2) |
C4—C5—C6—C1 | −0.21 (19) | C28—C29—C30—C25 | −0.5 (2) |
C2—C1—C6—C5 | 0.23 (18) | C26—C25—C30—C29 | 1.09 (19) |
P1—C1—C6—C5 | 179.86 (9) | P2—C25—C30—C29 | −177.64 (10) |
C13B—P1—C7—C12 | 6.14 (12) | C19—P2—C31—C32 | −125.88 (13) |
C13—P1—C7—C12 | 6.14 (12) | C25—P2—C31—C32 | −19.02 (13) |
C1—P1—C7—C12 | −101.11 (11) | Ag1—P2—C31—C32 | 117.98 (12) |
Ag1—P1—C7—C12 | 126.64 (10) | C19—P2—C31—C36 | 55.53 (10) |
C13B—P1—C7—C8 | −172.97 (10) | C25—P2—C31—C36 | 162.39 (9) |
C13—P1—C7—C8 | −172.97 (10) | Ag1—P2—C31—C36 | −60.61 (10) |
C1—P1—C7—C8 | 79.78 (11) | C36—C31—C32—C33 | −0.1 (2) |
Ag1—P1—C7—C8 | −52.48 (11) | P2—C31—C32—C33 | −178.61 (14) |
C12—C7—C8—C9 | −0.6 (2) | C31—C32—C33—C34 | 0.0 (3) |
P1—C7—C8—C9 | 178.56 (11) | C32—C33—C34—C35 | −0.3 (3) |
C7—C8—C9—C10 | −0.6 (2) | C33—C34—C35—C36 | 0.7 (2) |
C8—C9—C10—C11 | 1.1 (2) | C34—C35—C36—C31 | −0.7 (2) |
C9—C10—C11—C12 | −0.3 (2) | C32—C31—C36—C35 | 0.4 (2) |
C8—C7—C12—C11 | 1.33 (19) | P2—C31—C36—C35 | 179.11 (10) |
P1—C7—C12—C11 | −177.77 (10) | C43—P3—C37—C42 | −7.22 (11) |
C10—C11—C12—C7 | −0.9 (2) | C49—P3—C37—C42 | −112.89 (10) |
C1—P1—C13—C18 | −152.3 (3) | Ag1—P3—C37—C42 | 118.70 (9) |
C7—P1—C13—C18 | 100.1 (3) | C43—P3—C37—C38 | 175.41 (9) |
Ag1—P1—C13—C18 | −24.3 (3) | C49—P3—C37—C38 | 69.74 (9) |
C1—P1—C13—C14 | 22.8 (3) | Ag1—P3—C37—C38 | −58.67 (9) |
C7—P1—C13—C14 | −84.8 (3) | C42—C37—C38—C39 | 2.04 (17) |
Ag1—P1—C13—C14 | 150.8 (3) | P3—C37—C38—C39 | 179.54 (9) |
C18—C13—C14—C15 | −0.7 (5) | C37—C38—C39—C40 | −1.93 (19) |
P1—C13—C14—C15 | −175.8 (3) | C38—C39—C40—C41 | 0.29 (19) |
C13—C14—C15—C16 | −0.5 (7) | C39—C40—C41—C42 | 1.22 (19) |
C14—C15—C16—C17 | 1.6 (9) | C38—C37—C42—C41 | −0.54 (17) |
C15—C16—C17—C18 | −1.4 (9) | P3—C37—C42—C41 | −177.87 (9) |
C14—C13—C18—C17 | 0.9 (4) | C40—C41—C42—C37 | −1.09 (18) |
P1—C13—C18—C17 | 176.2 (2) | C37—P3—C43—C44 | 113.98 (9) |
C16—C17—C18—C13 | 0.1 (5) | C49—P3—C43—C44 | −138.98 (9) |
C1—P1—C13B—C14B | 7.8 (7) | Ag1—P3—C43—C44 | −6.68 (11) |
C7—P1—C13B—C14B | −99.8 (7) | C37—P3—C43—C48 | −68.66 (10) |
Ag1—P1—C13B—C14B | 135.8 (7) | C49—P3—C43—C48 | 38.39 (10) |
C1—P1—C13B—C18B | −169.6 (6) | Ag1—P3—C43—C48 | 170.68 (8) |
C7—P1—C13B—C18B | 82.8 (6) | C48—C43—C44—C45 | 0.08 (18) |
Ag1—P1—C13B—C18B | −41.6 (6) | P3—C43—C44—C45 | 177.50 (10) |
C18B—C13B—C14B—C15B | 0.3 (11) | C43—C44—C45—C46 | −0.72 (19) |
P1—C13B—C14B—C15B | −177.0 (7) | C44—C45—C46—C47 | 0.9 (2) |
C13B—C14B—C15B—C16B | 1.2 (18) | C45—C46—C47—C48 | −0.5 (2) |
C14B—C15B—C16B—C17B | −2 (3) | C46—C47—C48—C43 | −0.10 (19) |
C15B—C16B—C17B—C18B | 2 (2) | C44—C43—C48—C47 | 0.33 (18) |
C16B—C17B—C18B—C13B | −0.8 (16) | P3—C43—C48—C47 | −177.02 (9) |
C14B—C13B—C18B—C17B | −0.5 (10) | C37—P3—C49—C54 | −3.88 (11) |
P1—C13B—C18B—C17B | 177.1 (6) | C43—P3—C49—C54 | −113.22 (10) |
C31—P2—C19—C20 | −143.05 (10) | Ag1—P3—C49—C54 | 116.70 (9) |
C25—P2—C19—C20 | 111.13 (10) | C37—P3—C49—C50 | 175.99 (8) |
Ag1—P2—C19—C20 | −25.83 (10) | C43—P3—C49—C50 | 66.66 (9) |
C31—P2—C19—C24 | 35.76 (11) | Ag1—P3—C49—C50 | −63.42 (9) |
C25—P2—C19—C24 | −70.05 (11) | C54—C49—C50—C51 | 1.30 (17) |
Ag1—P2—C19—C24 | 152.98 (9) | P3—C49—C50—C51 | −178.58 (9) |
C24—C19—C20—C21 | 0.92 (18) | C49—C50—C51—C52 | −1.58 (18) |
P2—C19—C20—C21 | 179.77 (10) | C50—C51—C52—C53 | 0.37 (18) |
C19—C20—C21—C22 | 0.0 (2) | C51—C52—C53—C54 | 1.09 (18) |
C20—C21—C22—C23 | −0.5 (2) | C52—C53—C54—C49 | −1.36 (17) |
C21—C22—C23—C24 | 0.1 (2) | C50—C49—C54—C53 | 0.16 (16) |
C22—C23—C24—C19 | 0.8 (2) | P3—C49—C54—C53 | −179.96 (9) |
D—H···A | D—H | H···A | D···A | D—H···A |
C3—H3···N1i | 0.95 | 2.63 | 3.2987 (19) | 128 |
C40—H40···N1ii | 0.95 | 2.68 | 3.5540 (18) | 153 |
C46—H46···N1iii | 0.95 | 2.52 | 3.3460 (18) | 145 |
Symmetry codes: (i) −x+1, −y, −z; (ii) x−1/2, −y+1/2, z−1/2; (iii) −x+1, −y+1, −z. |
Acknowledgements
Financial support from the Department of Chemistry, Faculty of Science, Prince of Songkla University, is gratefully acknowledged. We would like to thank Dr Matthias Zeller and Purdue University for assistance with the X-ray
and use of structure programs funding by The National Science Foundation of United States (CHE-1625543).References
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