metal-organic compounds
Bis[S-hexyl 3-(thiophen-2-ylmethylidene)dithiocarbazato-κ2N3,S]palladium(II)
aDepartment of Physics, Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh, bDepartment of Applied Chemistry, Faculty of Engineering, University of Toyama, 3190 Gofuku, Toyama 930-8555, Japan, cCenter for Environmental Conservation and Research Safety, University of Toyama, 3190 Gofuku, Toyama 930-8555, Japan, dDepartment of Chemical and Pharmaceutical Sciences, via Giorgieri 1, 34127 Trieste, Italy, and eDepartment of Chemistry, Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh
*Correspondence e-mail: china@sust.edu
In the title complex, [Pd(C12H17N2S3)2], the PdII atom exhibits a square-planar coordination geometry with the N,S-chelating ligands arranged in a trans configuration. Intramolecular C—H⋯S hydrogen bonds are observed. In the crystal, molecules are linked by weak C—H⋯N hydrogen-bond interactions, forming chains parallel to the b axis.
CCDC reference: 1492179
Structure description
The title compound is isomorphous and isotypic to the bischelated copper(II) and nickel(II) complexes (Begum et al., 2016). In the complex (Fig. 1), the two in their deprotonated imino thiolate form, chelate the metal centre via the N1/N3 azomethine nitrogen and S2/S5 thiolate sulfur atoms in a trans-planar configuration exhibiting a pseudo-centrosymmetric arrangement. The molecular structure of similar non-coordinating ligands (Begum, Howlader et al., 2015; Begum, Zangrando et al., 2015) shows the β-nitrogen and the thioketo sulfur atoms are trans located with respect to the C6—N2 bond. Thus, upon coordination the deprotonated ligand requires rotation by 180° about this C—N bond in order to allow the N,S chelating behavior towards the metal. In the complex the ligand shows some geometrical variations with respect to the free species, the most significant being an elongation of the thioketo C6—S2 bond length with a concomitant decrease of the N1—C5 and increase of the N—N bond lengths. The molecular conformation is enforced by intramolecular C—H⋯S hydrogen bonds (Table 1). The hexyl chains exhibit all carbon atoms in an anti conformation, this conformation being recognized as an energy minimum. In the crystal (Fig. 2), molecules are arranged with the alkyl chains giving rise to a hydrophobic region and forming chains parallel to the b axis via weak C—H⋯N hydrogen bonds (Table 1).
Synthesis and crystallization
The title complex was prepared following a previously reported method (Begum et al., 2016). A solution of PdCl2 (0.044 g, 0.25 mmol) in 25 ml methanol was added to a solution of S-hexyl-3-(2-thienylidene)dithiocarbazate (0.144 g, 0.5 mmol) in 10 ml methanol. The resulting mixture was refluxed with constant stirring for 4 h. The orange–red precipitate formed was filtered off, washed with methanol and dried in vacuo over anhydrous CaCl2. Orange–red single crystals of the title compound suitable for X-ray diffraction were obtained by slow evaporation from a mixture of dichloromethane and acetonitrile (3:1 v/v). M.p. = 352 K.
Refinement
Crystal data, data collection and structure .
details are summarized in Table 2Structural data
CCDC reference: 1492179
https://doi.org/10.1107/S2414314616011329/rz4003sup1.cif
contains datablocks General, I. DOI:Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2414314616011329/rz4003Isup2.hkl
Data collection: RAPID-AUTO (Rigaku, 2010); cell
RAPID-AUTO (Rigaku, 2010); data reduction: RAPID-AUTO (Rigaku, 2010); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012); software used to prepare material for publication: publCIF (Westrip, 2010).[Pd(C12H17N2S3)2] | F(000) = 1392.00 |
Mr = 677.32 | Dx = 1.554 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71075 Å |
Hall symbol: -P 2ybc | Cell parameters from 23915 reflections |
a = 13.9118 (3) Å | θ = 3.0–27.5° |
b = 10.37486 (19) Å | µ = 1.10 mm−1 |
c = 20.6696 (4) Å | T = 173 K |
β = 103.9290 (7)° | Prism, orange |
V = 2895.58 (10) Å3 | 0.29 × 0.16 × 0.09 mm |
Z = 4 |
Rigaku R-AXIS RAPID diffractometer | 5991 reflections with F2 > 2.0σ(F2) |
Detector resolution: 10.000 pixels mm-1 | Rint = 0.026 |
ω scans | θmax = 27.5° |
Absorption correction: multi-scan (ABSCOR; Rigaku, 1995) | h = −18→16 |
Tmin = 0.653, Tmax = 0.906 | k = −13→13 |
27863 measured reflections | l = −26→26 |
6611 independent reflections |
Refinement on F2 | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.021 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.055 | H-atom parameters constrained |
S = 1.08 | w = 1/[σ2(Fo2) + (0.030P)2 + 0.7505P] where P = (Fo2 + 2Fc2)/3 |
6611 reflections | (Δ/σ)max = 0.002 |
318 parameters | Δρmax = 0.46 e Å−3 |
0 restraints | Δρmin = −0.41 e Å−3 |
Primary atom site location: structure-invariant direct methods |
Refinement. Refinement was performed using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 sigma(F2) is used only for calculating R-factor (gt). |
x | y | z | Uiso*/Ueq | ||
Pd1 | 0.445690 (8) | 0.127519 (11) | 0.438647 (5) | 0.01874 (4) | |
S1 | 0.23361 (3) | 0.07069 (4) | 0.62208 (2) | 0.02695 (9) | |
S2 | 0.33076 (3) | −0.01477 (4) | 0.380204 (19) | 0.02739 (9) | |
S3 | 0.16917 (3) | −0.14420 (4) | 0.42171 (2) | 0.03236 (10) | |
S4 | 0.62982 (3) | 0.20479 (4) | 0.243916 (18) | 0.02268 (8) | |
S5 | 0.55236 (3) | 0.28483 (4) | 0.491361 (18) | 0.02711 (9) | |
S6 | 0.69939 (3) | 0.43033 (4) | 0.44191 (2) | 0.02856 (9) | |
N1 | 0.36382 (9) | 0.11220 (12) | 0.50727 (6) | 0.0212 (3) | |
N2 | 0.28481 (9) | 0.02514 (13) | 0.49893 (6) | 0.0230 (3) | |
N3 | 0.52642 (9) | 0.14181 (12) | 0.36967 (6) | 0.0199 (3) | |
N4 | 0.59676 (9) | 0.23996 (12) | 0.37280 (6) | 0.0210 (3) | |
C1 | 0.23047 (13) | 0.13519 (17) | 0.69779 (8) | 0.0299 (4) | |
C2 | 0.29897 (12) | 0.22996 (17) | 0.71778 (8) | 0.0291 (4) | |
C3 | 0.35536 (11) | 0.25145 (16) | 0.67058 (8) | 0.0257 (3) | |
C4 | 0.32909 (11) | 0.17267 (15) | 0.61530 (7) | 0.0215 (3) | |
C5 | 0.37951 (11) | 0.17795 (15) | 0.56243 (7) | 0.0229 (3) | |
C6 | 0.26694 (11) | −0.03421 (15) | 0.44212 (8) | 0.0236 (3) | |
C7 | 0.12317 (12) | −0.14223 (16) | 0.49665 (8) | 0.0282 (4) | |
C8 | 0.03196 (12) | −0.22856 (17) | 0.48830 (8) | 0.0308 (4) | |
C9 | −0.00963 (12) | −0.22185 (16) | 0.54994 (8) | 0.0289 (4) | |
C10 | −0.10092 (12) | −0.30552 (17) | 0.54594 (8) | 0.0288 (4) | |
C11 | −0.14158 (12) | −0.29491 (17) | 0.60786 (8) | 0.0306 (4) | |
C12 | −0.23029 (14) | −0.38193 (19) | 0.60570 (9) | 0.0371 (4) | |
C13 | 0.62530 (12) | 0.14409 (16) | 0.16608 (8) | 0.0253 (4) | |
C14 | 0.57282 (11) | 0.03198 (16) | 0.15376 (7) | 0.0254 (4) | |
C15 | 0.53452 (11) | −0.00569 (15) | 0.20800 (7) | 0.0225 (3) | |
C16 | 0.55806 (10) | 0.07908 (14) | 0.26131 (7) | 0.0198 (3) | |
C17 | 0.51565 (10) | 0.06760 (14) | 0.31758 (7) | 0.0205 (3) | |
C18 | 0.61180 (10) | 0.30603 (14) | 0.42768 (7) | 0.0206 (3) | |
C19 | 0.74920 (12) | 0.42087 (16) | 0.36876 (8) | 0.0263 (4) | |
C20 | 0.83901 (11) | 0.50861 (16) | 0.37627 (8) | 0.0251 (3) | |
C21 | 0.87886 (12) | 0.49949 (17) | 0.31384 (8) | 0.0288 (4) | |
C22 | 0.96919 (12) | 0.58270 (16) | 0.31514 (9) | 0.0292 (4) | |
C23 | 1.00835 (13) | 0.56552 (19) | 0.25291 (9) | 0.0363 (4) | |
C24 | 1.09925 (15) | 0.6467 (2) | 0.25375 (11) | 0.0456 (5) | |
H1 | 0.1857 | 0.1078 | 0.7232 | 0.0359* | |
H2 | 0.3076 | 0.2759 | 0.7585 | 0.0350* | |
H3 | 0.4065 | 0.3141 | 0.6763 | 0.0308* | |
H4 | 0.4322 | 0.2385 | 0.5686 | 0.0275* | |
H5 | 0.1756 | −0.1728 | 0.5349 | 0.0339* | |
H6 | 0.1057 | −0.0529 | 0.5062 | 0.0339* | |
H7 | −0.0193 | −0.2006 | 0.4487 | 0.0370* | |
H8 | 0.0502 | −0.3187 | 0.4810 | 0.0370* | |
H9 | −0.0268 | −0.1312 | 0.5570 | 0.0347* | |
H10 | 0.0426 | −0.2488 | 0.5892 | 0.0347* | |
H11 | −0.1531 | −0.2796 | 0.5064 | 0.0346* | |
H12 | −0.0837 | −0.3966 | 0.5398 | 0.0346* | |
H13 | −0.0884 | −0.3173 | 0.6475 | 0.0367* | |
H14 | −0.1611 | −0.2044 | 0.6129 | 0.0367* | |
H15 | −0.2528 | −0.3711 | 0.6468 | 0.0446* | |
H16 | −0.2112 | −0.4719 | 0.6016 | 0.0446* | |
H17 | −0.2840 | −0.3588 | 0.5673 | 0.0446* | |
H18 | 0.6560 | 0.1842 | 0.1349 | 0.0304* | |
H19 | 0.5633 | −0.0152 | 0.1133 | 0.0305* | |
H20 | 0.4964 | −0.0816 | 0.2081 | 0.0270* | |
H21 | 0.4735 | −0.0047 | 0.3169 | 0.0247* | |
H22 | 0.7686 | 0.3308 | 0.3624 | 0.0316* | |
H23 | 0.6977 | 0.4468 | 0.3289 | 0.0316* | |
H24 | 0.8910 | 0.4824 | 0.4158 | 0.0301* | |
H25 | 0.8200 | 0.5987 | 0.3828 | 0.0301* | |
H26 | 0.8961 | 0.4085 | 0.3075 | 0.0345* | |
H27 | 0.8256 | 0.5246 | 0.2748 | 0.0345* | |
H28 | 1.0221 | 0.5602 | 0.3549 | 0.0350* | |
H29 | 0.9516 | 0.6743 | 0.3191 | 0.0350* | |
H30 | 1.0249 | 0.4736 | 0.2487 | 0.0436* | |
H31 | 0.9555 | 0.5888 | 0.2133 | 0.0436* | |
H32 | 1.1179 | 0.6370 | 0.2112 | 0.0547* | |
H33 | 1.1541 | 0.6181 | 0.2902 | 0.0547* | |
H34 | 1.0845 | 0.7374 | 0.2604 | 0.0547* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1 | 0.01981 (7) | 0.02133 (7) | 0.01718 (6) | −0.00101 (4) | 0.00858 (4) | 0.00159 (4) |
S1 | 0.0259 (2) | 0.0329 (3) | 0.02521 (19) | −0.00608 (15) | 0.01238 (15) | 0.00006 (16) |
S2 | 0.0307 (2) | 0.0315 (2) | 0.02352 (18) | −0.00874 (16) | 0.01346 (15) | −0.00467 (16) |
S3 | 0.0328 (3) | 0.0377 (3) | 0.0294 (2) | −0.01495 (17) | 0.01304 (17) | −0.00597 (17) |
S4 | 0.02522 (19) | 0.02514 (18) | 0.02030 (17) | −0.00390 (14) | 0.01060 (14) | −0.00137 (14) |
S5 | 0.0295 (2) | 0.0363 (3) | 0.01867 (17) | −0.01023 (16) | 0.01195 (15) | −0.00412 (15) |
S6 | 0.0302 (2) | 0.0334 (3) | 0.02520 (19) | −0.01151 (16) | 0.01289 (15) | −0.00660 (16) |
N1 | 0.0205 (7) | 0.0242 (7) | 0.0208 (6) | −0.0019 (5) | 0.0088 (5) | 0.0025 (5) |
N2 | 0.0218 (7) | 0.0257 (7) | 0.0238 (7) | −0.0040 (5) | 0.0099 (5) | 0.0003 (5) |
N3 | 0.0207 (7) | 0.0215 (7) | 0.0192 (6) | −0.0007 (5) | 0.0080 (5) | 0.0022 (5) |
N4 | 0.0210 (7) | 0.0226 (7) | 0.0215 (6) | −0.0029 (5) | 0.0093 (5) | 0.0008 (5) |
C1 | 0.0302 (9) | 0.0379 (10) | 0.0258 (8) | 0.0018 (7) | 0.0152 (7) | 0.0048 (7) |
C2 | 0.0328 (9) | 0.0345 (9) | 0.0226 (8) | 0.0041 (7) | 0.0114 (7) | −0.0009 (7) |
C3 | 0.0246 (8) | 0.0290 (9) | 0.0246 (8) | 0.0001 (6) | 0.0081 (6) | 0.0002 (7) |
C4 | 0.0186 (8) | 0.0254 (8) | 0.0220 (7) | 0.0002 (6) | 0.0077 (6) | 0.0037 (6) |
C5 | 0.0202 (8) | 0.0266 (8) | 0.0235 (7) | −0.0020 (6) | 0.0084 (6) | 0.0018 (6) |
C6 | 0.0216 (8) | 0.0251 (8) | 0.0257 (8) | −0.0015 (6) | 0.0090 (6) | 0.0025 (6) |
C7 | 0.0270 (9) | 0.0329 (9) | 0.0270 (8) | −0.0065 (7) | 0.0109 (7) | 0.0008 (7) |
C8 | 0.0265 (9) | 0.0356 (10) | 0.0316 (9) | −0.0094 (7) | 0.0095 (7) | 0.0006 (7) |
C9 | 0.0272 (9) | 0.0296 (9) | 0.0312 (9) | −0.0047 (7) | 0.0096 (7) | 0.0012 (7) |
C10 | 0.0249 (9) | 0.0336 (9) | 0.0292 (8) | −0.0042 (7) | 0.0087 (7) | 0.0025 (7) |
C11 | 0.0285 (9) | 0.0339 (9) | 0.0315 (9) | −0.0017 (7) | 0.0113 (7) | 0.0026 (7) |
C12 | 0.0330 (10) | 0.0471 (12) | 0.0355 (10) | −0.0070 (8) | 0.0162 (8) | 0.0038 (8) |
C13 | 0.0263 (9) | 0.0325 (9) | 0.0197 (7) | 0.0015 (6) | 0.0107 (6) | 0.0005 (6) |
C14 | 0.0248 (8) | 0.0314 (9) | 0.0210 (7) | 0.0036 (6) | 0.0074 (6) | −0.0051 (7) |
C15 | 0.0216 (8) | 0.0216 (8) | 0.0251 (8) | 0.0016 (6) | 0.0072 (6) | −0.0021 (6) |
C16 | 0.0186 (7) | 0.0220 (8) | 0.0198 (7) | 0.0009 (6) | 0.0066 (6) | 0.0008 (6) |
C17 | 0.0200 (8) | 0.0209 (7) | 0.0221 (7) | 0.0005 (6) | 0.0078 (6) | 0.0020 (6) |
C18 | 0.0201 (8) | 0.0247 (8) | 0.0181 (7) | −0.0005 (6) | 0.0071 (6) | 0.0025 (6) |
C19 | 0.0263 (9) | 0.0317 (9) | 0.0239 (8) | −0.0073 (7) | 0.0119 (6) | −0.0033 (7) |
C20 | 0.0226 (8) | 0.0268 (8) | 0.0269 (8) | −0.0036 (6) | 0.0083 (6) | −0.0009 (7) |
C21 | 0.0270 (9) | 0.0334 (9) | 0.0286 (8) | −0.0058 (7) | 0.0119 (7) | −0.0010 (7) |
C22 | 0.0264 (9) | 0.0294 (9) | 0.0345 (9) | −0.0022 (7) | 0.0127 (7) | 0.0040 (7) |
C23 | 0.0327 (10) | 0.0436 (11) | 0.0360 (10) | −0.0010 (8) | 0.0150 (8) | 0.0083 (8) |
C24 | 0.0421 (12) | 0.0488 (12) | 0.0538 (13) | −0.0033 (9) | 0.0271 (10) | 0.0131 (10) |
Pd1—S2 | 2.2946 (4) | C22—C23 | 1.523 (3) |
Pd1—S5 | 2.2966 (4) | C23—C24 | 1.516 (3) |
Pd1—N1 | 2.0278 (14) | C1—H1 | 0.950 |
Pd1—N3 | 2.0216 (14) | C2—H2 | 0.950 |
S1—C1 | 1.7122 (18) | C3—H3 | 0.950 |
S1—C4 | 1.7300 (17) | C5—H4 | 0.950 |
S2—C6 | 1.7360 (19) | C7—H5 | 0.990 |
S3—C6 | 1.7475 (16) | C7—H6 | 0.990 |
S3—C7 | 1.8129 (19) | C8—H7 | 0.990 |
S4—C13 | 1.7147 (18) | C8—H8 | 0.990 |
S4—C16 | 1.7320 (16) | C9—H9 | 0.990 |
S5—C18 | 1.7288 (17) | C9—H10 | 0.990 |
S6—C18 | 1.7498 (15) | C10—H11 | 0.990 |
S6—C19 | 1.8112 (19) | C10—H12 | 0.990 |
N1—N2 | 1.4009 (18) | C11—H13 | 0.990 |
N1—C5 | 1.3012 (19) | C11—H14 | 0.990 |
N2—C6 | 1.296 (2) | C12—H15 | 0.980 |
N3—N4 | 1.4029 (18) | C12—H16 | 0.980 |
N3—C17 | 1.3026 (19) | C12—H17 | 0.980 |
N4—C18 | 1.2985 (19) | C13—H18 | 0.950 |
C1—C2 | 1.362 (3) | C14—H19 | 0.950 |
C2—C3 | 1.409 (3) | C15—H20 | 0.950 |
C3—C4 | 1.381 (3) | C17—H21 | 0.950 |
C4—C5 | 1.435 (3) | C19—H22 | 0.990 |
C7—C8 | 1.529 (3) | C19—H23 | 0.990 |
C8—C9 | 1.522 (3) | C20—H24 | 0.990 |
C9—C10 | 1.524 (3) | C20—H25 | 0.990 |
C10—C11 | 1.523 (3) | C21—H26 | 0.990 |
C11—C12 | 1.521 (3) | C21—H27 | 0.990 |
C13—C14 | 1.364 (3) | C22—H28 | 0.990 |
C14—C15 | 1.408 (3) | C22—H29 | 0.990 |
C15—C16 | 1.386 (2) | C23—H30 | 0.990 |
C16—C17 | 1.430 (3) | C23—H31 | 0.990 |
C19—C20 | 1.523 (3) | C24—H32 | 0.980 |
C20—C21 | 1.525 (3) | C24—H33 | 0.980 |
C21—C22 | 1.520 (3) | C24—H34 | 0.980 |
S1···N1 | 3.3418 (15) | C22···H13iii | 3.2117 |
S1···N2 | 2.8431 (15) | C22···H16iii | 3.5813 |
S1···C7 | 3.4705 (16) | C23···H1xvi | 3.2288 |
S2···C17 | 3.2595 (16) | C23···H13iii | 3.3178 |
S4···N3 | 3.3245 (15) | C23···H13xvi | 3.4597 |
S4···N4 | 2.8340 (14) | C23···H14xvi | 3.5676 |
S4···C19 | 3.5184 (16) | C24···H1xvi | 3.0297 |
S5···C5 | 3.2970 (17) | C24···H10xvi | 3.4675 |
N2···C4 | 2.792 (2) | C24···H13xvi | 3.4659 |
N2···C7 | 2.833 (3) | C24···H16iii | 3.5220 |
N4···C16 | 2.7909 (19) | C24···H26xvii | 3.0049 |
N4···C19 | 2.848 (3) | H1···C12xiv | 3.4422 |
C5···C6 | 3.407 (2) | H1···C23x | 3.2288 |
C17···C18 | 3.409 (2) | H1···C24x | 3.0297 |
S5···C13i | 3.5849 (17) | H1···H13xiv | 3.3644 |
N4···C15ii | 3.4088 (19) | H1···H15xiv | 2.6333 |
C2···C15iii | 3.380 (3) | H1···H29ix | 2.9526 |
C3···C15i | 3.583 (3) | H1···H30x | 2.5613 |
C3···C16i | 3.466 (2) | H1···H32x | 2.6989 |
C4···C17iii | 3.371 (2) | H1···H33x | 2.8102 |
C12···C14iv | 3.496 (3) | H2···S2i | 3.4900 |
C13···S5v | 3.5849 (17) | H2···N3i | 3.4500 |
C14···C12vi | 3.496 (3) | H2···C15iii | 3.5252 |
C14···C18vii | 3.584 (2) | H2···C17i | 3.2861 |
C15···N4vii | 3.4088 (19) | H2···C21ix | 3.5401 |
C15···C2iii | 3.380 (3) | H2···H15xiv | 2.7305 |
C15···C3v | 3.583 (3) | H2···H20iii | 3.3270 |
C16···C3v | 3.466 (2) | H2···H21i | 3.3273 |
C17···C4iii | 3.371 (2) | H2···H23ix | 3.3893 |
C18···C14ii | 3.584 (2) | H2···H25ix | 3.2994 |
Pd1···H4 | 2.9696 | H2···H27ix | 2.7526 |
Pd1···H21 | 2.9724 | H3···S4i | 3.0909 |
S1···H2 | 3.4858 | H3···C13i | 3.1313 |
S1···H3 | 3.4814 | H3···C14i | 2.9389 |
S1···H5 | 3.0957 | H3···C15i | 2.6439 |
S1···H6 | 2.9150 | H3···C16i | 2.6419 |
S2···H21 | 2.6304 | H3···C17i | 3.1953 |
S3···H7 | 2.8693 | H3···C19ix | 3.4854 |
S3···H8 | 2.9142 | H3···H19i | 3.4877 |
S4···H19 | 3.4855 | H3···H20iii | 3.4360 |
S4···H20 | 3.4875 | H3···H20i | 3.0498 |
S4···H22 | 3.0257 | H3···H21i | 3.4528 |
S4···H23 | 3.0792 | H3···H23ix | 2.8625 |
S5···H4 | 2.6192 | H3···H25ix | 3.2225 |
S6···H24 | 2.8956 | H4···C13i | 3.1867 |
S6···H25 | 2.8886 | H4···C14i | 3.3075 |
N2···H4 | 3.1232 | H4···H17viii | 3.3036 |
N2···H5 | 2.7608 | H4···H18i | 3.1878 |
N2···H6 | 2.6580 | H4···H19i | 3.4071 |
N4···H21 | 3.1249 | H4···H21iii | 3.4222 |
N4···H22 | 2.6265 | H5···S6iii | 3.1605 |
N4···H23 | 2.8304 | H5···N4iii | 3.3533 |
C1···H3 | 3.1885 | H5···C18iii | 3.1863 |
C3···H1 | 3.1958 | H5···C19iii | 3.2680 |
C3···H4 | 2.5861 | H5···H22iii | 2.6473 |
C4···H1 | 3.3984 | H5···H24iii | 3.5593 |
C4···H2 | 3.2291 | H6···C8viii | 3.5089 |
C5···H3 | 2.6918 | H6···C9viii | 3.2418 |
C6···H5 | 2.9209 | H6···H6viii | 3.0917 |
C6···H6 | 2.8724 | H6···H7viii | 3.1253 |
C7···H9 | 2.6794 | H6···H9viii | 2.4221 |
C7···H10 | 2.6776 | H6···H11viii | 3.5336 |
C8···H11 | 2.7413 | H7···S1viii | 3.2784 |
C8···H12 | 2.7544 | H7···C22xi | 3.5349 |
C9···H5 | 2.7172 | H7···H6viii | 3.1253 |
C9···H6 | 2.6768 | H7···H9viii | 3.5087 |
C9···H13 | 2.7042 | H7···H24xi | 3.5259 |
C9···H14 | 2.7367 | H7···H25xi | 3.1185 |
C10···H7 | 2.7585 | H7···H28xi | 3.2850 |
C10···H8 | 2.7570 | H7···H29xi | 2.9169 |
C10···H15 | 3.3757 | H8···C20iii | 3.5745 |
C10···H16 | 2.7405 | H8···C22xi | 3.4935 |
C10···H17 | 2.7438 | H8···H12xviii | 3.0374 |
C11···H9 | 2.7101 | H8···H22iii | 3.5959 |
C11···H10 | 2.7236 | H8···H24xi | 3.0889 |
C12···H11 | 2.7475 | H8···H24iii | 2.6960 |
C12···H12 | 2.7152 | H8···H25xi | 3.4608 |
C13···H20 | 3.1943 | H8···H28xi | 2.8339 |
C15···H18 | 3.2011 | H8···H29xi | 3.2971 |
C15···H21 | 2.5893 | H9···S3viii | 3.5632 |
C16···H18 | 3.4035 | H9···C7viii | 3.2183 |
C16···H19 | 3.2289 | H9···H6viii | 2.4221 |
C17···H20 | 2.7017 | H9···H7viii | 3.5087 |
C18···H22 | 2.8400 | H9···H31x | 3.3269 |
C18···H23 | 2.9836 | H9···H32x | 3.3361 |
C19···H26 | 2.6525 | H10···C19iii | 3.3349 |
C19···H27 | 2.6549 | H10···C20iii | 3.1501 |
C20···H28 | 2.7408 | H10···C21iii | 3.3050 |
C20···H29 | 2.7747 | H10···C24x | 3.4675 |
C21···H22 | 2.6760 | H10···H22iii | 2.7133 |
C21···H23 | 2.6696 | H10···H24iii | 2.6043 |
C21···H30 | 2.7073 | H10···H26iii | 2.6746 |
C21···H31 | 2.7173 | H10···H31x | 3.5067 |
C22···H24 | 2.7716 | H10···H32x | 2.7450 |
C22···H25 | 2.7736 | H10···H34x | 3.4467 |
C22···H32 | 3.3693 | H11···S1viii | 3.4028 |
C22···H33 | 2.7665 | H11···N1viii | 3.3602 |
C22···H34 | 2.7033 | H11···N2viii | 3.2004 |
C23···H26 | 2.6868 | H11···C4viii | 3.2546 |
C23···H27 | 2.7217 | H11···C5viii | 3.3018 |
C24···H28 | 2.7215 | H11···C20xi | 3.4550 |
C24···H29 | 2.7313 | H11···H6viii | 3.5336 |
H1···H2 | 2.4205 | H11···H24xi | 3.2465 |
H2···H3 | 2.4633 | H11···H25xi | 2.7928 |
H3···H4 | 2.4651 | H12···C20xi | 3.4358 |
H5···H7 | 2.8775 | H12···C22iii | 3.5990 |
H5···H8 | 2.3749 | H12···H8xviii | 3.0374 |
H5···H9 | 2.9917 | H12···H24xi | 2.8004 |
H5···H10 | 2.5112 | H12···H24iii | 2.7630 |
H6···H7 | 2.4055 | H12···H25xi | 3.1993 |
H6···H8 | 2.8773 | H12···H26iii | 3.5798 |
H6···H9 | 2.4695 | H12···H28iii | 2.7303 |
H6···H10 | 2.9278 | H13···C21iii | 3.4046 |
H7···H9 | 2.3769 | H13···C22iii | 3.2117 |
H7···H10 | 2.8659 | H13···C23iii | 3.3178 |
H7···H11 | 2.5749 | H13···C23x | 3.4597 |
H7···H12 | 3.0488 | H13···C24x | 3.4659 |
H8···H9 | 2.8660 | H13···H1xv | 3.3644 |
H8···H10 | 2.3779 | H13···H26iii | 2.7793 |
H8···H11 | 3.0261 | H13···H28iii | 2.6889 |
H8···H12 | 2.5874 | H13···H30iii | 2.6645 |
H9···H11 | 2.3801 | H13···H31x | 2.7275 |
H9···H12 | 2.8629 | H13···H32x | 3.4140 |
H9···H13 | 2.9547 | H13···H33iii | 3.5777 |
H9···H14 | 2.5379 | H13···H34x | 3.0357 |
H10···H11 | 2.8629 | H14···S2viii | 3.3048 |
H10···H12 | 2.3694 | H14···N1viii | 3.4150 |
H10···H13 | 2.5174 | H14···N2viii | 3.1380 |
H10···H14 | 3.0255 | H14···C6viii | 2.9635 |
H11···H13 | 2.8634 | H14···C23x | 3.5676 |
H11···H14 | 2.3623 | H14···H31x | 2.5993 |
H11···H16 | 3.0448 | H15···C1xv | 3.1528 |
H11···H17 | 2.5836 | H15···C2xv | 3.1957 |
H12···H13 | 2.3883 | H15···C13iv | 3.3734 |
H12···H14 | 2.8633 | H15···C14iv | 2.9762 |
H12···H16 | 2.5456 | H15···H1xv | 2.6333 |
H12···H17 | 3.0003 | H15···H2xv | 2.7305 |
H13···H15 | 2.3509 | H15···H18iv | 3.4739 |
H13···H16 | 2.3687 | H15···H19iv | 2.7505 |
H13···H17 | 2.8573 | H15···H30iii | 3.5427 |
H14···H15 | 2.3535 | H15···H33iii | 3.0479 |
H14···H16 | 2.8573 | H16···S6xi | 3.3910 |
H14···H17 | 2.3662 | H16···C13iv | 3.4054 |
H18···H19 | 2.4215 | H16···C14iv | 3.4837 |
H19···H20 | 2.4607 | H16···C22iii | 3.5813 |
H20···H21 | 2.4778 | H16···C24iii | 3.5220 |
H22···H24 | 2.3848 | H16···H18iv | 3.0573 |
H22···H25 | 2.8757 | H16···H19iv | 3.2074 |
H22···H26 | 2.4585 | H16···H28iii | 2.7255 |
H22···H27 | 2.9381 | H16···H30iii | 3.5247 |
H23···H24 | 2.8758 | H16···H33iii | 2.6597 |
H23···H25 | 2.3896 | H17···Pd1viii | 3.2712 |
H23···H26 | 2.9249 | H17···S6xi | 3.3568 |
H23···H27 | 2.4542 | H17···N1viii | 3.0547 |
H24···H26 | 2.3816 | H17···C5viii | 3.2805 |
H24···H27 | 2.8690 | H17···C14iv | 3.4790 |
H24···H28 | 2.5819 | H17···H4viii | 3.3036 |
H24···H29 | 3.0793 | H17···H19iv | 2.8466 |
H25···H26 | 2.8688 | H18···S2ii | 3.1489 |
H25···H27 | 2.3798 | H18···S3ii | 3.4390 |
H25···H28 | 3.0302 | H18···S5v | 2.9879 |
H25···H29 | 2.6205 | H18···H4v | 3.1878 |
H26···H28 | 2.3841 | H18···H15vi | 3.4739 |
H26···H29 | 2.8586 | H18···H16vi | 3.0573 |
H26···H30 | 2.4895 | H18···H33xii | 2.8069 |
H26···H31 | 2.9591 | H19···S5vii | 3.1461 |
H27···H28 | 2.8588 | H19···S5v | 3.4501 |
H27···H29 | 2.3564 | H19···N4vii | 3.4351 |
H27···H30 | 2.9976 | H19···C12vi | 3.1035 |
H27···H31 | 2.5375 | H19···C18vii | 3.0160 |
H28···H30 | 2.3806 | H19···H3v | 3.4877 |
H28···H31 | 2.8650 | H19···H4v | 3.4071 |
H28···H33 | 2.5885 | H19···H15vi | 2.7505 |
H28···H34 | 2.9610 | H19···H16vi | 3.2074 |
H29···H30 | 2.8649 | H19···H17vi | 2.8466 |
H29···H31 | 2.3728 | H20···S4vii | 3.1330 |
H29···H32 | 3.5998 | H20···N3vii | 3.2668 |
H29···H33 | 3.0721 | H20···N4vii | 2.6186 |
H29···H34 | 2.5301 | H20···C2iii | 3.2749 |
H30···H32 | 2.3730 | H20···C3iii | 3.3409 |
H30···H33 | 2.3387 | H20···C18vii | 3.0763 |
H30···H34 | 2.8534 | H20···C19vii | 3.4030 |
H31···H32 | 2.3244 | H20···H2iii | 3.3270 |
H31···H33 | 2.8523 | H20···H3iii | 3.4360 |
H31···H34 | 2.3883 | H20···H3v | 3.0498 |
Pd1···H17viii | 3.2712 | H20···H23vii | 2.6390 |
S1···H7viii | 3.2784 | H21···S4vii | 3.4439 |
S1···H11viii | 3.4028 | H21···C3iii | 3.4632 |
S1···H25ix | 3.5060 | H21···C4iii | 3.2699 |
S1···H32x | 3.4718 | H21···C5iii | 3.3439 |
S2···H2v | 3.4900 | H21···H2v | 3.3273 |
S2···H14viii | 3.3048 | H21···H3v | 3.4528 |
S2···H18vii | 3.1489 | H21···H4iii | 3.4222 |
S2···H27vii | 3.4367 | H21···H23vii | 3.3985 |
S3···H9viii | 3.5632 | H22···C7iii | 3.5324 |
S3···H18vii | 3.4390 | H22···C9iii | 3.5893 |
S3···H34xi | 3.4824 | H22···H5iii | 2.6473 |
S4···H3v | 3.0909 | H22···H8iii | 3.5959 |
S4···H20ii | 3.1330 | H22···H10iii | 2.7133 |
S4···H21ii | 3.4439 | H22···H32xii | 3.1633 |
S4···H32xii | 3.4790 | H23···C2ix | 3.4935 |
S4···H33xii | 3.3714 | H23···C3ix | 3.2174 |
S5···H18i | 2.9879 | H23···C15ii | 3.1741 |
S5···H19ii | 3.1461 | H23···H2ix | 3.3893 |
S5···H19i | 3.4501 | H23···H3ix | 2.8625 |
S6···H5iii | 3.1605 | H23···H20ii | 2.6390 |
S6···H16xiii | 3.3910 | H23···H21ii | 3.3985 |
S6···H17xiii | 3.3568 | H24···C8iii | 3.3152 |
N1···H11viii | 3.3602 | H24···C9iii | 3.1571 |
N1···H14viii | 3.4150 | H24···C10xiii | 3.4566 |
N1···H17viii | 3.0547 | H24···C10iii | 3.3774 |
N2···H11viii | 3.2004 | H24···H5iii | 3.5593 |
N2···H14viii | 3.1380 | H24···H7xiii | 3.5259 |
N3···H2v | 3.4500 | H24···H8xiii | 3.0889 |
N3···H20ii | 3.2668 | H24···H8iii | 2.6960 |
N4···H5iii | 3.3533 | H24···H10iii | 2.6043 |
N4···H19ii | 3.4351 | H24···H11xiii | 3.2465 |
N4···H20ii | 2.6186 | H24···H12xiii | 2.8004 |
C1···H15xiv | 3.1528 | H24···H12iii | 2.7630 |
C1···H25ix | 3.2136 | H25···S1ix | 3.5060 |
C1···H29ix | 3.1652 | H25···C1ix | 3.2136 |
C1···H30x | 3.4653 | H25···C2ix | 2.9267 |
C1···H32x | 3.2726 | H25···C3ix | 2.8789 |
C1···H33x | 3.5584 | H25···C4ix | 3.1567 |
C2···H15xiv | 3.1957 | H25···C10xiii | 3.4317 |
C2···H20iii | 3.2749 | H25···H2ix | 3.2994 |
C2···H23ix | 3.4935 | H25···H3ix | 3.2225 |
C2···H25ix | 2.9267 | H25···H7xiii | 3.1185 |
C2···H27ix | 3.1038 | H25···H8xiii | 3.4608 |
C2···H29ix | 3.5271 | H25···H11xiii | 2.7928 |
C3···H20iii | 3.3409 | H25···H12xiii | 3.1993 |
C3···H21iii | 3.4632 | H26···C9iii | 3.5613 |
C3···H23ix | 3.2174 | H26···C24xii | 3.0049 |
C3···H25ix | 2.8789 | H26···H10iii | 2.6746 |
C4···H11viii | 3.2546 | H26···H12iii | 3.5798 |
C4···H21iii | 3.2699 | H26···H13iii | 2.7793 |
C4···H25ix | 3.1567 | H26···H32xii | 2.8442 |
C5···H11viii | 3.3018 | H26···H34xii | 2.3188 |
C5···H17viii | 3.2805 | H27···S2ii | 3.4367 |
C5···H21iii | 3.3439 | H27···C2ix | 3.1038 |
C6···H14viii | 2.9635 | H27···H2ix | 2.7526 |
C7···H9viii | 3.2183 | H27···H34xii | 3.3783 |
C7···H22iii | 3.5324 | H28···C8xiii | 3.4988 |
C8···H6viii | 3.5089 | H28···C10iii | 3.3624 |
C8···H24iii | 3.3152 | H28···C11iii | 3.2120 |
C8···H28xi | 3.4988 | H28···C12iii | 3.3673 |
C8···H29xi | 3.5517 | H28···H7xiii | 3.2850 |
C9···H6viii | 3.2418 | H28···H8xiii | 2.8339 |
C9···H22iii | 3.5893 | H28···H12iii | 2.7303 |
C9···H24iii | 3.1571 | H28···H13iii | 2.6889 |
C9···H26iii | 3.5613 | H28···H16iii | 2.7255 |
C9···H32x | 3.4914 | H29···C1ix | 3.1652 |
C10···H24xi | 3.4566 | H29···C2ix | 3.5271 |
C10···H24iii | 3.3774 | H29···C8xiii | 3.5517 |
C10···H25xi | 3.4317 | H29···H1ix | 2.9526 |
C10···H28iii | 3.3624 | H29···H7xiii | 2.9169 |
C11···H28iii | 3.2120 | H29···H8xiii | 3.2971 |
C11···H30iii | 3.5414 | H29···H30xvii | 3.4539 |
C11···H31x | 3.1188 | H30···C1xvi | 3.4653 |
C12···H1xv | 3.4422 | H30···C11iii | 3.5414 |
C12···H19iv | 3.1035 | H30···H1xvi | 2.5613 |
C12···H28iii | 3.3673 | H30···H13iii | 2.6645 |
C12···H33iii | 3.2650 | H30···H15iii | 3.5427 |
C13···H3v | 3.1313 | H30···H16iii | 3.5247 |
C13···H4v | 3.1867 | H30···H29xii | 3.4539 |
C13···H15vi | 3.3734 | H30···H34xii | 2.8670 |
C13···H16vi | 3.4054 | H31···C11xvi | 3.1188 |
C13···H33xii | 2.9959 | H31···H9xvi | 3.3269 |
C14···H3v | 2.9389 | H31···H10xvi | 3.5067 |
C14···H4v | 3.3075 | H31···H13xvi | 2.7275 |
C14···H15vi | 2.9762 | H31···H14xvi | 2.5993 |
C14···H16vi | 3.4837 | H32···S1xvi | 3.4718 |
C14···H17vi | 3.4790 | H32···S4xvii | 3.4790 |
C15···H2iii | 3.5252 | H32···C1xvi | 3.2726 |
C15···H3v | 2.6439 | H32···C9xvi | 3.4914 |
C15···H23vii | 3.1741 | H32···H1xvi | 2.6989 |
C16···H3v | 2.6419 | H32···H9xvi | 3.3361 |
C17···H2v | 3.2861 | H32···H10xvi | 2.7450 |
C17···H3v | 3.1953 | H32···H13xvi | 3.4140 |
C18···H5iii | 3.1863 | H32···H22xvii | 3.1633 |
C18···H19ii | 3.0160 | H32···H26xvii | 2.8442 |
C18···H20ii | 3.0763 | H33···S4xvii | 3.3714 |
C19···H3ix | 3.4854 | H33···C1xvi | 3.5584 |
C19···H5iii | 3.2680 | H33···C12iii | 3.2650 |
C19···H10iii | 3.3349 | H33···C13xvii | 2.9959 |
C19···H20ii | 3.4030 | H33···H1xvi | 2.8102 |
C20···H8iii | 3.5745 | H33···H13iii | 3.5777 |
C20···H10iii | 3.1501 | H33···H15iii | 3.0479 |
C20···H11xiii | 3.4550 | H33···H16iii | 2.6597 |
C20···H12xiii | 3.4358 | H33···H18xvii | 2.8069 |
C21···H2ix | 3.5401 | H34···S3xiii | 3.4824 |
C21···H10iii | 3.3050 | H34···C21xvii | 3.2219 |
C21···H13iii | 3.4046 | H34···H10xvi | 3.4467 |
C21···H34xii | 3.2219 | H34···H13xvi | 3.0357 |
C22···H7xiii | 3.5349 | H34···H26xvii | 2.3188 |
C22···H8xiii | 3.4935 | H34···H27xvii | 3.3783 |
C22···H12iii | 3.5990 | H34···H30xvii | 2.8670 |
S2—Pd1—S5 | 174.706 (15) | C7—C8—H8 | 109.534 |
S2—Pd1—N1 | 83.13 (4) | C9—C8—H7 | 109.539 |
S2—Pd1—N3 | 96.37 (4) | C9—C8—H8 | 109.538 |
S5—Pd1—N1 | 97.55 (4) | H7—C8—H8 | 108.094 |
S5—Pd1—N3 | 82.95 (4) | C8—C9—H9 | 108.735 |
N1—Pd1—N3 | 179.49 (5) | C8—C9—H10 | 108.728 |
C1—S1—C4 | 91.38 (9) | C10—C9—H9 | 108.723 |
Pd1—S2—C6 | 95.85 (5) | C10—C9—H10 | 108.731 |
C6—S3—C7 | 101.58 (8) | H9—C9—H10 | 107.649 |
C13—S4—C16 | 91.46 (8) | C9—C10—H11 | 109.041 |
Pd1—S5—C18 | 95.86 (5) | C9—C10—H12 | 109.039 |
C18—S6—C19 | 102.16 (8) | C11—C10—H11 | 109.048 |
Pd1—N1—N2 | 121.37 (10) | C11—C10—H12 | 109.046 |
Pd1—N1—C5 | 124.60 (11) | H11—C10—H12 | 107.808 |
N2—N1—C5 | 114.02 (14) | C10—C11—H13 | 108.912 |
N1—N2—C6 | 113.05 (14) | C10—C11—H14 | 108.907 |
Pd1—N3—N4 | 121.36 (10) | C12—C11—H13 | 108.921 |
Pd1—N3—C17 | 124.52 (11) | C12—C11—H14 | 108.922 |
N4—N3—C17 | 114.04 (13) | H13—C11—H14 | 107.746 |
N3—N4—C18 | 112.79 (13) | C11—C12—H15 | 109.461 |
S1—C1—C2 | 112.92 (15) | C11—C12—H16 | 109.469 |
C1—C2—C3 | 111.69 (16) | C11—C12—H17 | 109.480 |
C2—C3—C4 | 113.50 (15) | H15—C12—H16 | 109.467 |
S1—C4—C3 | 110.51 (13) | H15—C12—H17 | 109.471 |
S1—C4—C5 | 127.64 (12) | H16—C12—H17 | 109.479 |
C3—C4—C5 | 121.82 (15) | S4—C13—H18 | 123.669 |
N1—C5—C4 | 129.63 (15) | C14—C13—H18 | 123.665 |
S2—C6—S3 | 113.85 (9) | C13—C14—H19 | 123.956 |
S2—C6—N2 | 126.31 (13) | C15—C14—H19 | 123.944 |
S3—C6—N2 | 119.83 (14) | C14—C15—H20 | 123.386 |
S3—C7—C8 | 110.55 (11) | C16—C15—H20 | 123.364 |
C7—C8—C9 | 110.55 (14) | N3—C17—H21 | 115.283 |
C8—C9—C10 | 114.09 (14) | C16—C17—H21 | 115.291 |
C9—C10—C11 | 112.74 (14) | S6—C19—H22 | 109.524 |
C10—C11—C12 | 113.29 (14) | S6—C19—H23 | 109.519 |
S4—C13—C14 | 112.67 (14) | C20—C19—H22 | 109.527 |
C13—C14—C15 | 112.10 (14) | C20—C19—H23 | 109.533 |
C14—C15—C16 | 113.25 (14) | H22—C19—H23 | 108.099 |
S4—C16—C15 | 110.52 (12) | C19—C20—H24 | 109.789 |
S4—C16—C17 | 127.07 (11) | C19—C20—H25 | 109.788 |
C15—C16—C17 | 121.93 (14) | C21—C20—H24 | 109.784 |
N3—C17—C16 | 129.43 (14) | C21—C20—H25 | 109.775 |
S5—C18—S6 | 114.03 (8) | H24—C20—H25 | 108.238 |
S5—C18—N4 | 126.29 (12) | C20—C21—H26 | 108.594 |
S6—C18—N4 | 119.68 (13) | C20—C21—H27 | 108.600 |
S6—C19—C20 | 110.60 (12) | C22—C21—H26 | 108.603 |
C19—C20—C21 | 109.45 (13) | C22—C21—H27 | 108.597 |
C20—C21—C22 | 114.67 (14) | H26—C21—H27 | 107.562 |
C21—C22—C23 | 112.39 (14) | C21—C22—H28 | 109.116 |
C22—C23—C24 | 113.10 (16) | C21—C22—H29 | 109.120 |
S1—C1—H1 | 123.545 | C23—C22—H28 | 109.128 |
C2—C1—H1 | 123.538 | C23—C22—H29 | 109.124 |
C1—C2—H2 | 124.148 | H28—C22—H29 | 107.857 |
C3—C2—H2 | 124.162 | C22—C23—H30 | 108.950 |
C2—C3—H3 | 123.244 | C22—C23—H31 | 108.957 |
C4—C3—H3 | 123.254 | C24—C23—H30 | 108.964 |
N1—C5—H4 | 115.179 | C24—C23—H31 | 108.970 |
C4—C5—H4 | 115.195 | H30—C23—H31 | 107.768 |
S3—C7—H5 | 109.538 | C23—C24—H32 | 109.466 |
S3—C7—H6 | 109.533 | C23—C24—H33 | 109.479 |
C8—C7—H5 | 109.539 | C23—C24—H34 | 109.476 |
C8—C7—H6 | 109.535 | H32—C24—H33 | 109.469 |
H5—C7—H6 | 108.101 | H32—C24—H34 | 109.466 |
C7—C8—H7 | 109.541 | H33—C24—H34 | 109.471 |
S2—Pd1—N1—N2 | 5.37 (8) | N2—N1—C5—C4 | 0.9 (2) |
S2—Pd1—N1—C5 | −175.96 (9) | C5—N1—N2—C6 | 176.43 (11) |
N1—Pd1—S2—C6 | −3.71 (4) | N1—N2—C6—S2 | 0.40 (19) |
S2—Pd1—N3—N4 | 166.01 (8) | N1—N2—C6—S3 | −178.57 (10) |
S2—Pd1—N3—C17 | −10.48 (9) | Pd1—N3—N4—C18 | 8.32 (14) |
N3—Pd1—S2—C6 | 176.34 (4) | Pd1—N3—C17—C16 | 170.50 (9) |
S5—Pd1—N1—N2 | −179.93 (8) | N4—N3—C17—C16 | −6.22 (19) |
S5—Pd1—N1—C5 | −1.25 (9) | C17—N3—N4—C18 | −174.84 (11) |
N1—Pd1—S5—C18 | −174.28 (4) | N3—N4—C18—S5 | −1.78 (18) |
S5—Pd1—N3—N4 | −8.71 (8) | N3—N4—C18—S6 | 178.39 (9) |
S5—Pd1—N3—C17 | 174.80 (9) | S1—C1—C2—C3 | 0.21 (18) |
N3—Pd1—S5—C18 | 5.62 (4) | C1—C2—C3—C4 | −0.05 (19) |
C1—S1—C4—C3 | 0.20 (11) | C2—C3—C4—S1 | −0.12 (17) |
C1—S1—C4—C5 | 178.48 (13) | C2—C3—C4—C5 | −178.52 (12) |
C4—S1—C1—C2 | −0.24 (12) | S1—C4—C5—N1 | 2.6 (3) |
Pd1—S2—C6—S3 | −177.88 (7) | C3—C4—C5—N1 | −179.33 (14) |
Pd1—S2—C6—N2 | 3.09 (13) | S3—C7—C8—C9 | −177.26 (9) |
C6—S3—C7—C8 | 177.07 (9) | C7—C8—C9—C10 | −179.89 (12) |
C7—S3—C6—S2 | 178.73 (9) | C8—C9—C10—C11 | −179.07 (12) |
C7—S3—C6—N2 | −2.17 (13) | C9—C10—C11—C12 | −177.74 (12) |
C13—S4—C16—C15 | 0.99 (10) | S4—C13—C14—C15 | 0.50 (17) |
C13—S4—C16—C17 | −171.07 (11) | C13—C14—C15—C16 | 0.27 (18) |
C16—S4—C13—C14 | −0.86 (11) | C14—C15—C16—S4 | −0.90 (16) |
Pd1—S5—C18—S6 | 175.85 (7) | C14—C15—C16—C17 | 171.64 (12) |
Pd1—S5—C18—N4 | −3.99 (12) | S4—C16—C17—N3 | −5.3 (2) |
C18—S6—C19—C20 | −171.22 (9) | C15—C16—C17—N3 | −176.58 (13) |
C19—S6—C18—S5 | 177.78 (8) | S6—C19—C20—C21 | −179.57 (9) |
C19—S6—C18—N4 | −2.37 (12) | C19—C20—C21—C22 | −179.85 (12) |
Pd1—N1—N2—C6 | −4.76 (15) | C20—C21—C22—C23 | 177.59 (12) |
Pd1—N1—C5—C4 | −177.83 (9) | C21—C22—C23—C24 | −179.31 (12) |
Symmetry codes: (i) x, −y+1/2, z+1/2; (ii) −x+1, y+1/2, −z+1/2; (iii) −x+1, −y, −z+1; (iv) x−1, −y−1/2, z+1/2; (v) x, −y+1/2, z−1/2; (vi) x+1, −y−1/2, z−1/2; (vii) −x+1, y−1/2, −z+1/2; (viii) −x, −y, −z+1; (ix) −x+1, −y+1, −z+1; (x) x−1, −y+1/2, z+1/2; (xi) x−1, y−1, z; (xii) −x+2, y−1/2, −z+1/2; (xiii) x+1, y+1, z; (xiv) −x, y+1/2, −z+3/2; (xv) −x, y−1/2, −z+3/2; (xvi) x+1, −y+1/2, z−1/2; (xvii) −x+2, y+1/2, −z+1/2; (xviii) −x, −y−1, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
C5—H4···S5 | 0.95 | 2.62 | 3.2970 (17) | 129 |
C15—H20···N4vii | 0.95 | 2.62 | 3.4088 (19) | 141 |
C17—H21···S2 | 0.95 | 2.63 | 3.2596 (16) | 124 |
Symmetry code: (vii) −x+1, y−1/2, −z+1/2. |
Acknowledgements
MSB is grateful to the Department of Chemistry, Rajshahi University, for the provision of laboratory facilities. MCS acknowledges the Department of Applied Chemistry, Toyama University, for providing funds for single-crystal X-ray analyses.
References
Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435. CrossRef Web of Science IUCr Journals Google Scholar
Begum, M. S., Howlader, M. B. H., Miyatake, R., Zangrando, E. & Sheikh, M. C. (2015). Acta Cryst. E71, o199. Web of Science CSD CrossRef IUCr Journals Google Scholar
Begum, M. S., Zangrando, E., Howlader, M. B. H., Sheikh, M. C., Miyatake, R., Hossain, M. M., Alam, M. M. & Hasnat, M. A. (2016). Polyhedron, 105, 56–61. CSD CrossRef CAS Google Scholar
Begum, M. S., Zangrando, E., Sheikh, M. C., Miyatake, R. & Hossain, M. M. (2015). Acta Cryst. E71, o265–o266. Web of Science CSD CrossRef IUCr Journals Google Scholar
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849–854. Web of Science CrossRef CAS IUCr Journals Google Scholar
Rigaku (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan. Google Scholar
Rigaku (2010). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925. Web of Science CrossRef CAS IUCr Journals Google Scholar
This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.