Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806056236/bv2043sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806056236/bv2043Isup2.hkl |
CCDC reference: 636854
Data collection: SMART (Bruker, 2000); cell refinement: SAINT-Plus (Bruker, 2000); data reduction: XPREP (Bruker, 2000); program(s) used to solve structure: DIRDIF99 (Beurskens et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.
[Sn(CH3)2(C13H16NS2)2] | Z = 2 |
Mr = 649.60 | F(000) = 668 |
Triclinic, P1 | The final unit cell was obtained from the xyz centroids of
9452 reflections after integration using the SAINTPLUS
software package (Bruker, 2000). Reduced cell calculations did not indicate any higher metric lattice symmetry and examination of the final atomic coordinates of the structure did not yield extra symmetry elements (Spek, 1988; Le Page 1987, 1988) |
Hall symbol: -P 1 | Dx = 1.457 Mg m−3 |
a = 9.8937 (6) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 11.4658 (7) Å | Cell parameters from 9452 reflections |
c = 14.2179 (8) Å | θ = 2.7–29.8° |
α = 99.811 (1)° | µ = 1.16 mm−1 |
β = 108.859 (1)° | T = 100 K |
γ = 96.158 (1)° | Block, colourless |
V = 1480.99 (15) Å3 | 0.49 × 0.43 × 0.41 mm |
Bruker SMART APEX CCD area-detector diffractometer | 6972 independent reflections |
Radiation source: fine focus sealed Siemens Mo tube | 6620 reflections with I > 2σ(I) |
Parallel mounted graphite monochromator | Rint = 0.013 |
Detector resolution: 4096x4096 / 62x62 (binned 512) pixels mm-1 | θmax = 28.3°, θmin = 2.6° |
φ and ω scans | h = −13→12 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2001) | k = −15→15 |
Tmin = 0.540, Tmax = 0.620 | l = −18→16 |
11332 measured reflections |
Refinement on F2 | Primary atom site location: heavy-atom method |
Least-squares matrix: full | Secondary atom site location: structure-invariant direct methods |
R[F2 > 2σ(F2)] = 0.020 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.051 | All H-atom parameters refined |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0252P)2 + 0.4409P] where P = (Fo2 + 2Fc2)/3 |
6972 reflections | (Δ/σ)max = 0.001 |
468 parameters | Δρmax = 0.53 e Å−3 |
0 restraints | Δρmin = −0.43 e Å−3 |
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Sn | 0.99487 (1) | 0.37860 (1) | 0.22505 (1) | 0.0172 (1) | |
S1 | 0.77165 (4) | 0.21795 (3) | 0.15723 (3) | 0.0208 (1) | |
S2 | 0.71626 (4) | 0.46280 (3) | 0.13579 (3) | 0.0249 (1) | |
S3 | 1.12035 (4) | 0.20196 (3) | 0.25974 (3) | 0.0224 (1) | |
S4 | 1.31412 (4) | 0.43929 (3) | 0.33146 (3) | 0.0244 (1) | |
N1 | 0.50847 (14) | 0.27619 (11) | 0.10107 (10) | 0.0213 (4) | |
N2 | 1.39441 (14) | 0.23714 (11) | 0.38351 (10) | 0.0206 (4) | |
C1 | −0.1280 (2) | 0.16235 (17) | −0.11731 (15) | 0.0343 (5) | |
C2 | −0.2443 (2) | 0.22060 (18) | −0.15226 (16) | 0.0388 (6) | |
C3 | −0.2627 (2) | 0.26715 (17) | −0.23819 (16) | 0.0371 (6) | |
C4 | −0.1645 (2) | 0.25586 (18) | −0.28764 (15) | 0.0373 (6) | |
C5 | −0.0483 (2) | 0.19899 (16) | −0.25189 (14) | 0.0333 (5) | |
C6 | −0.02758 (19) | 0.15082 (14) | −0.16629 (13) | 0.0283 (5) | |
C7 | 0.1006 (2) | 0.08967 (15) | −0.12647 (15) | 0.0316 (5) | |
C8 | 0.21326 (17) | 0.15897 (13) | −0.02499 (12) | 0.0230 (4) | |
C9 | 0.27774 (18) | 0.28381 (13) | −0.02975 (12) | 0.0222 (4) | |
C10 | 0.39554 (18) | 0.34990 (14) | 0.06970 (13) | 0.0239 (4) | |
C11 | 0.44982 (19) | 0.15745 (14) | 0.11080 (13) | 0.0260 (5) | |
C12 | 0.33564 (19) | 0.08891 (14) | 0.01134 (14) | 0.0269 (5) | |
C13 | 0.64974 (16) | 0.31800 (12) | 0.12792 (11) | 0.0183 (4) | |
C14 | 1.83150 (19) | −0.11115 (16) | 0.46298 (14) | 0.0277 (5) | |
C15 | 1.8220 (2) | −0.23309 (17) | 0.46302 (16) | 0.0350 (6) | |
C16 | 1.7315 (2) | −0.31705 (17) | 0.37774 (18) | 0.0401 (7) | |
C17 | 1.6531 (2) | −0.28004 (18) | 0.29222 (17) | 0.0389 (6) | |
C18 | 1.6634 (2) | −0.15865 (17) | 0.29220 (14) | 0.0322 (6) | |
C19 | 1.75187 (18) | −0.07210 (14) | 0.37761 (13) | 0.0247 (5) | |
C20 | 1.75657 (19) | 0.05982 (16) | 0.37874 (14) | 0.0276 (5) | |
C21 | 1.64333 (17) | 0.11384 (13) | 0.41763 (12) | 0.0209 (4) | |
C22 | 1.48909 (17) | 0.04880 (13) | 0.35580 (12) | 0.0207 (4) | |
C23 | 1.37638 (18) | 0.10892 (14) | 0.38764 (13) | 0.0232 (5) | |
C24 | 1.53928 (18) | 0.30319 (14) | 0.44885 (13) | 0.0245 (4) | |
C25 | 1.65449 (17) | 0.24772 (14) | 0.41645 (13) | 0.0237 (4) | |
C26 | 1.28996 (16) | 0.29037 (12) | 0.33160 (11) | 0.0186 (4) | |
C27 | 0.9874 (2) | 0.46719 (15) | 0.36686 (13) | 0.0269 (5) | |
C28 | 1.0364 (2) | 0.43318 (17) | 0.10113 (13) | 0.0278 (5) | |
H1 | −0.112 (2) | 0.1323 (19) | −0.0585 (17) | 0.039 (6)* | |
H2 | −0.308 (3) | 0.229 (2) | −0.1181 (17) | 0.043 (6)* | |
H3 | −0.341 (3) | 0.308 (2) | −0.2630 (17) | 0.043 (6)* | |
H4 | −0.175 (3) | 0.290 (2) | −0.3419 (19) | 0.052 (7)* | |
H5 | 0.017 (2) | 0.188 (2) | −0.2891 (17) | 0.043 (6)* | |
H7 | 0.153 (2) | 0.0776 (19) | −0.1764 (16) | 0.042 (6)* | |
H7' | 0.065 (3) | 0.015 (2) | −0.1152 (18) | 0.051 (7)* | |
H8 | 0.166 (2) | 0.1691 (16) | 0.0247 (14) | 0.024 (5)* | |
H9 | 0.322 (2) | 0.2789 (17) | −0.0821 (15) | 0.028 (5)* | |
H9' | 0.204 (2) | 0.3306 (17) | −0.0463 (14) | 0.027 (5)* | |
H10 | 0.441 (2) | 0.4260 (17) | 0.0619 (14) | 0.026 (5)* | |
H10' | 0.354 (2) | 0.3677 (17) | 0.1262 (15) | 0.032 (5)* | |
H11 | 0.402 (2) | 0.1710 (18) | 0.1646 (16) | 0.036 (5)* | |
H11' | 0.532 (2) | 0.1116 (17) | 0.1305 (15) | 0.028 (5)* | |
H12 | 0.300 (2) | 0.0123 (19) | 0.0197 (16) | 0.036 (5)* | |
H12' | 0.386 (2) | 0.0798 (19) | −0.0382 (16) | 0.040 (6)* | |
H14 | 1.891 (2) | −0.0538 (18) | 0.5221 (16) | 0.031 (5)* | |
H15 | 1.875 (2) | −0.2537 (19) | 0.5221 (16) | 0.035 (5)* | |
H16 | 1.723 (3) | −0.399 (2) | 0.3776 (18) | 0.051 (7)* | |
H17 | 1.591 (3) | −0.339 (2) | 0.232 (2) | 0.057 (7)* | |
H18 | 1.612 (2) | −0.134 (2) | 0.2356 (17) | 0.040 (6)* | |
H20 | 1.852 (2) | 0.1030 (18) | 0.4199 (15) | 0.030 (5)* | |
H20' | 1.740 (2) | 0.0743 (18) | 0.3089 (16) | 0.034 (5)* | |
H21 | 1.663 (2) | 0.1065 (16) | 0.4870 (15) | 0.026 (5)* | |
H22 | 1.4760 (19) | −0.0322 (16) | 0.3643 (13) | 0.020 (4)* | |
H22' | 1.470 (2) | 0.0469 (16) | 0.2849 (15) | 0.025 (5)* | |
H23 | 1.283 (2) | 0.0707 (16) | 0.3448 (14) | 0.024 (5)* | |
H23' | 1.389 (2) | 0.1089 (18) | 0.4584 (16) | 0.032 (5)* | |
H24 | 1.552 (2) | 0.2982 (16) | 0.5173 (15) | 0.027 (5)* | |
H24' | 1.546 (2) | 0.3837 (17) | 0.4449 (14) | 0.025 (5)* | |
H25 | 1.751 (2) | 0.2927 (18) | 0.4613 (15) | 0.030 (5)* | |
H25' | 1.642 (2) | 0.2583 (17) | 0.3501 (15) | 0.026 (5)* | |
H27 | 0.898 (3) | 0.440 (2) | 0.3682 (18) | 0.048 (6)* | |
H27' | 0.991 (2) | 0.548 (2) | 0.3659 (16) | 0.037 (5)* | |
H27" | 1.068 (3) | 0.457 (2) | 0.4165 (18) | 0.047 (6)* | |
H28 | 0.962 (3) | 0.402 (2) | 0.0431 (18) | 0.039 (6)* | |
H28' | 1.046 (3) | 0.516 (2) | 0.1152 (18) | 0.051 (7)* | |
H28" | 1.118 (3) | 0.412 (2) | 0.099 (2) | 0.062 (8)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn | 0.0186 (1) | 0.0174 (1) | 0.0154 (1) | 0.0050 (1) | 0.0052 (1) | 0.0033 (1) |
S1 | 0.0185 (2) | 0.0176 (2) | 0.0260 (2) | 0.0057 (1) | 0.0057 (2) | 0.0063 (1) |
S2 | 0.0196 (2) | 0.0162 (2) | 0.0357 (2) | 0.0043 (1) | 0.0050 (2) | 0.0060 (2) |
S3 | 0.0180 (2) | 0.0176 (2) | 0.0251 (2) | 0.0046 (1) | 0.0004 (1) | 0.0007 (1) |
S4 | 0.0248 (2) | 0.0167 (2) | 0.0262 (2) | 0.0040 (1) | 0.0019 (2) | 0.0034 (1) |
N1 | 0.0182 (6) | 0.0188 (6) | 0.0254 (7) | 0.0042 (5) | 0.0043 (5) | 0.0066 (5) |
N2 | 0.0170 (6) | 0.0181 (6) | 0.0235 (7) | 0.0044 (5) | 0.0031 (5) | 0.0030 (5) |
C1 | 0.0273 (9) | 0.0372 (9) | 0.0303 (9) | −0.0049 (7) | 0.0022 (7) | 0.0080 (7) |
C2 | 0.0234 (10) | 0.0446 (10) | 0.0426 (11) | −0.0006 (8) | 0.0098 (8) | 0.0014 (8) |
C3 | 0.0217 (9) | 0.0298 (9) | 0.0477 (12) | 0.0024 (7) | −0.0017 (8) | 0.0051 (8) |
C4 | 0.0310 (10) | 0.0396 (10) | 0.0303 (10) | −0.0037 (8) | −0.0015 (8) | 0.0093 (8) |
C5 | 0.0270 (9) | 0.0381 (9) | 0.0268 (9) | 0.0003 (7) | 0.0043 (7) | −0.0006 (7) |
C6 | 0.0226 (8) | 0.0211 (7) | 0.0291 (9) | −0.0025 (6) | −0.0013 (7) | −0.0021 (6) |
C7 | 0.0266 (9) | 0.0245 (8) | 0.0334 (10) | 0.0022 (7) | 0.0009 (7) | −0.0001 (7) |
C8 | 0.0194 (8) | 0.0225 (7) | 0.0240 (8) | 0.0020 (6) | 0.0039 (6) | 0.0055 (6) |
C9 | 0.0207 (8) | 0.0206 (7) | 0.0224 (8) | 0.0042 (6) | 0.0034 (6) | 0.0047 (6) |
C10 | 0.0188 (8) | 0.0212 (7) | 0.0271 (8) | 0.0057 (6) | 0.0024 (6) | 0.0030 (6) |
C11 | 0.0236 (8) | 0.0248 (7) | 0.0299 (9) | 0.0041 (6) | 0.0071 (7) | 0.0116 (6) |
C12 | 0.0252 (9) | 0.0175 (7) | 0.0335 (9) | 0.0023 (6) | 0.0048 (7) | 0.0057 (6) |
C13 | 0.0200 (7) | 0.0188 (6) | 0.0150 (7) | 0.0055 (5) | 0.0044 (5) | 0.0032 (5) |
C14 | 0.0259 (9) | 0.0346 (9) | 0.0288 (9) | 0.0123 (7) | 0.0132 (7) | 0.0115 (7) |
C15 | 0.0401 (11) | 0.0413 (10) | 0.0393 (10) | 0.0237 (8) | 0.0233 (9) | 0.0212 (8) |
C16 | 0.0445 (12) | 0.0294 (9) | 0.0610 (13) | 0.0186 (8) | 0.0324 (11) | 0.0127 (9) |
C17 | 0.0335 (10) | 0.0360 (9) | 0.0462 (12) | 0.0131 (8) | 0.0168 (9) | −0.0036 (8) |
C18 | 0.0299 (10) | 0.0417 (10) | 0.0294 (9) | 0.0186 (8) | 0.0130 (8) | 0.0064 (7) |
C19 | 0.0225 (8) | 0.0312 (8) | 0.0291 (8) | 0.0128 (6) | 0.0157 (7) | 0.0112 (6) |
C20 | 0.0212 (8) | 0.0337 (8) | 0.0354 (9) | 0.0106 (7) | 0.0138 (7) | 0.0156 (7) |
C21 | 0.0169 (7) | 0.0243 (7) | 0.0224 (8) | 0.0061 (5) | 0.0054 (6) | 0.0086 (6) |
C22 | 0.0192 (8) | 0.0202 (7) | 0.0230 (8) | 0.0063 (5) | 0.0058 (6) | 0.0065 (5) |
C23 | 0.0187 (8) | 0.0207 (7) | 0.0306 (9) | 0.0063 (6) | 0.0073 (7) | 0.0077 (6) |
C24 | 0.0199 (8) | 0.0209 (7) | 0.0253 (8) | 0.0028 (6) | 0.0002 (6) | 0.0010 (6) |
C25 | 0.0174 (8) | 0.0234 (7) | 0.0259 (8) | 0.0017 (6) | 0.0016 (6) | 0.0071 (6) |
C26 | 0.0186 (7) | 0.0182 (6) | 0.0169 (7) | 0.0045 (5) | 0.0048 (5) | 0.0005 (5) |
C27 | 0.0326 (10) | 0.0267 (8) | 0.0228 (8) | 0.0089 (7) | 0.0120 (7) | 0.0024 (6) |
C28 | 0.0249 (9) | 0.0395 (10) | 0.0204 (8) | 0.0064 (7) | 0.0073 (7) | 0.0112 (7) |
Sn—S1 | 2.5190 (4) | C24—C25 | 1.520 (3) |
Sn—S2 | 2.9779 (5) | C1—H1 | 0.93 (2) |
Sn—S3 | 2.5240 (4) | C2—H2 | 0.92 (3) |
Sn—S4 | 2.9715 (5) | C3—H3 | 0.95 (3) |
Sn—C27 | 2.1253 (18) | C4—H4 | 0.91 (2) |
Sn—C28 | 2.1103 (19) | C5—H5 | 0.96 (2) |
S1—C13 | 1.7548 (16) | C7—H7 | 1.01 (2) |
S2—C13 | 1.6902 (15) | C7—H7' | 0.95 (2) |
S3—C26 | 1.7496 (16) | C8—H8 | 0.96 (2) |
S4—C26 | 1.6990 (15) | C9—H9 | 0.98 (2) |
N1—C10 | 1.473 (2) | C9—H9' | 0.94 (2) |
N1—C11 | 1.468 (2) | C10—H10 | 0.98 (2) |
N1—C13 | 1.333 (2) | C10—H10' | 1.02 (2) |
N2—C23 | 1.475 (2) | C11—H11 | 1.02 (2) |
N2—C24 | 1.469 (2) | C11—H11' | 1.01 (2) |
N2—C26 | 1.335 (2) | C12—H12 | 0.95 (2) |
C1—C2 | 1.388 (3) | C12—H12' | 0.98 (2) |
C1—C6 | 1.391 (3) | C14—H14 | 0.95 (2) |
C2—C3 | 1.382 (3) | C15—H15 | 0.92 (2) |
C3—C4 | 1.376 (3) | C16—H16 | 0.93 (2) |
C4—C5 | 1.379 (3) | C17—H17 | 0.97 (3) |
C5—C6 | 1.386 (3) | C18—H18 | 0.91 (2) |
C6—C7 | 1.511 (3) | C20—H20 | 0.96 (2) |
C7—C8 | 1.528 (3) | C20—H20' | 1.00 (2) |
C8—C9 | 1.525 (2) | C21—H21 | 0.96 (2) |
C8—C12 | 1.524 (3) | C22—H22 | 0.957 (19) |
C9—C10 | 1.521 (2) | C22—H22' | 0.96 (2) |
C11—C12 | 1.514 (3) | C23—H23 | 0.94 (2) |
C14—C15 | 1.391 (3) | C23—H23' | 0.97 (2) |
C14—C19 | 1.392 (3) | C24—H24 | 0.95 (2) |
C15—C16 | 1.384 (3) | C24—H24' | 0.93 (2) |
C16—C17 | 1.377 (3) | C25—H25 | 0.99 (2) |
C17—C18 | 1.385 (3) | C25—H25' | 0.94 (2) |
C18—C19 | 1.393 (3) | C27—H27 | 0.91 (3) |
C19—C20 | 1.506 (2) | C27—H27' | 0.93 (2) |
C20—C21 | 1.542 (3) | C27—H27" | 0.91 (3) |
C21—C22 | 1.524 (2) | C28—H28 | 0.90 (3) |
C21—C25 | 1.531 (2) | C28—H28' | 0.92 (2) |
C22—C23 | 1.519 (3) | C28—H28" | 0.88 (3) |
S1···S2 | 2.9645 (5) | H5···H7 | 2.38 (3) |
S1···S3 | 3.3221 (6) | H7···H5 | 2.38 (3) |
S1···C27 | 3.6445 (18) | H7···H9 | 2.57 (3) |
S2···S1 | 2.9645 (5) | H7···H12' | 2.49 (3) |
S2···C17i | 3.618 (2) | H7···C18xi | 2.99 (2) |
S2···C9ii | 3.4973 (16) | H7'···H1 | 2.56 (4) |
S2···C28 | 3.402 (2) | H7'···H12 | 2.50 (3) |
S2···C27 | 3.4942 (18) | H7'···S3iii | 2.94 (2) |
S3···C7iii | 3.6256 (19) | H8···C1 | 2.94 (2) |
S3···S1 | 3.3221 (6) | H8···H1 | 2.57 (3) |
S3···S4 | 2.9650 (6) | H8···H11 | 2.53 (3) |
S4···C24iv | 3.6862 (17) | H9···H7 | 2.57 (3) |
S4···C28 | 3.5132 (19) | H9···H12' | 2.56 (3) |
S4···S3 | 2.9650 (6) | H9···C17xi | 3.08 (2) |
S4···C27 | 3.468 (2) | H9'···C6 | 2.77 (2) |
S1···H20'v | 3.00 (2) | H9'···H28"v | 2.55 (3) |
S1···H12iii | 3.16 (2) | H9'···S2ii | 3.02 (2) |
S1···H11' | 2.43 (2) | H10···S2 | 2.54 (2) |
S2···H17i | 3.04 (3) | H10'···S4v | 3.06 (2) |
S2···H10 | 2.54 (2) | H10'···H11 | 2.47 (3) |
S2···H9'ii | 3.02 (2) | H10'···H28"v | 2.37 (4) |
S3···H23 | 2.490 (19) | H11···H8 | 2.53 (3) |
S3···H15vi | 3.04 (2) | H11···H10' | 2.47 (3) |
S3···H7'iii | 2.94 (2) | H11···H22'v | 2.39 (3) |
S4···H10'vii | 3.06 (2) | H11'···S1 | 2.43 (2) |
S4···H27" | 3.06 (3) | H12···H7' | 2.50 (3) |
S4···H28" | 3.19 (3) | H12···S1iii | 3.16 (2) |
S4···H24' | 2.56 (2) | H12'···H7 | 2.49 (3) |
C7···S3iii | 3.6256 (19) | H12'···H9 | 2.56 (3) |
C9···S2ii | 3.4973 (16) | H14···H20 | 2.48 (3) |
C14···C23vi | 3.400 (3) | H14···C14x | 3.09 (2) |
C15···C23vi | 3.557 (3) | H14···H20x | 2.56 (3) |
C15···C26vi | 3.574 (3) | H15···S3vi | 3.04 (2) |
C17···S2viii | 3.618 (2) | H15···C26vi | 3.08 (2) |
C18···C22 | 3.257 (3) | H17···S2viii | 3.04 (3) |
C22···C18 | 3.257 (3) | H18···C22 | 3.08 (2) |
C23···C14vi | 3.400 (3) | H18···H20' | 2.46 (3) |
C23···C15vi | 3.557 (3) | H20···H14 | 2.48 (3) |
C24···S4iv | 3.6862 (17) | H20···H25 | 2.55 (3) |
C26···C15vi | 3.574 (3) | H20···C14x | 3.02 (2) |
C27···S2 | 3.4942 (18) | H20···H14x | 2.56 (3) |
C27···S4 | 3.468 (2) | H20'···S1vii | 3.00 (2) |
C27···S1 | 3.6445 (18) | H20'···H18 | 2.46 (3) |
C28···C28ix | 3.396 (3) | H20'···H22' | 2.56 (3) |
C28···S4 | 3.5132 (19) | H20'···H25' | 2.47 (3) |
C28···S2 | 3.402 (2) | H21···H24 | 2.59 (3) |
C1···H28v | 3.09 (2) | H22···C18 | 2.809 (19) |
C1···H8 | 2.94 (2) | H22···C19 | 2.77 (2) |
C3···H28'ii | 2.96 (3) | H22'···C11vii | 2.929 (19) |
C4···H28'ii | 3.09 (2) | H22'···H11vii | 2.39 (3) |
C6···H9' | 2.77 (2) | H22'···H20' | 2.56 (3) |
C8···H1 | 3.07 (2) | H23···S3 | 2.490 (19) |
C9···H28"v | 3.08 (3) | H23'···H24 | 2.40 (3) |
C10···H28"v | 3.05 (3) | H23'···C14vi | 2.76 (2) |
C11···H22'v | 2.929 (19) | H23'···C15vi | 3.04 (2) |
C14···H14x | 3.09 (2) | H24···H21 | 2.59 (3) |
C14···H23'vi | 2.76 (2) | H24···H23' | 2.40 (3) |
C14···H20x | 3.02 (2) | H24'···S4 | 2.56 (2) |
C15···H23'vi | 3.04 (2) | H25···H20 | 2.55 (3) |
C17···H3iii | 2.95 (3) | H25'···H20' | 2.47 (3) |
C17···H9xi | 3.08 (2) | H28···C1vii | 3.09 (2) |
C18···H7xi | 2.99 (2) | H28···C28ix | 3.02 (2) |
C18···H22 | 2.809 (19) | H28···H28'ix | 2.57 (3) |
C19···H22 | 2.77 (2) | H28'···C3ii | 2.96 (3) |
C22···H18 | 3.08 (2) | H28'···C4ii | 3.09 (2) |
C26···H15vi | 3.08 (2) | H28'···C28ix | 3.09 (2) |
C28···H28ix | 3.02 (2) | H28'···H28ix | 2.57 (3) |
C28···H28'ix | 3.09 (2) | H28"···C9vii | 3.08 (3) |
H1···C8 | 3.07 (2) | H28"···C10vii | 3.05 (3) |
H1···H7' | 2.56 (4) | H28"···H9'vii | 2.55 (3) |
H1···H8 | 2.57 (3) | H28"···H10'vii | 2.37 (4) |
H3···C17iii | 2.95 (3) | ||
S1—Sn—S2 | 64.64 (1) | C8—C7—H7' | 106.6 (15) |
S1—Sn—S3 | 82.41 (1) | H7—C7—H7' | 111 (2) |
S1—Sn—S4 | 146.94 (1) | C7—C8—H8 | 108.0 (12) |
S1—Sn—C27 | 103.06 (5) | C9—C8—H8 | 107.5 (11) |
S1—Sn—C28 | 108.78 (5) | C12—C8—H8 | 108.3 (12) |
S2—Sn—S3 | 146.97 (1) | C8—C9—H9 | 110.9 (12) |
S2—Sn—S4 | 148.33 (1) | C8—C9—H9' | 109.9 (12) |
S2—Sn—C27 | 84.67 (5) | C10—C9—H9 | 106.6 (12) |
S2—Sn—C28 | 82.01 (6) | C10—C9—H9' | 108.7 (12) |
S3—Sn—S4 | 64.71 (1) | H9—C9—H9' | 107.8 (17) |
S3—Sn—C27 | 106.16 (5) | N1—C10—H10 | 108.4 (12) |
S3—Sn—C28 | 107.93 (6) | N1—C10—H10' | 108.1 (11) |
S4—Sn—C27 | 83.98 (6) | C9—C10—H10 | 110.6 (11) |
S4—Sn—C28 | 85.70 (5) | C9—C10—H10' | 110.9 (12) |
C27—Sn—C28 | 135.64 (7) | H10—C10—H10' | 108.5 (16) |
Sn—S1—C13 | 94.81 (5) | N1—C11—H11 | 107.4 (12) |
Sn—S2—C13 | 81.09 (6) | N1—C11—H11' | 108.3 (12) |
Sn—S3—C26 | 94.59 (5) | C12—C11—H11 | 108.4 (12) |
Sn—S4—C26 | 81.01 (6) | C12—C11—H11' | 109.7 (11) |
C10—N1—C11 | 112.61 (14) | H11—C11—H11' | 112.3 (16) |
C10—N1—C13 | 123.18 (13) | C8—C12—H12 | 111.4 (13) |
C11—N1—C13 | 123.85 (14) | C8—C12—H12' | 108.9 (13) |
C23—N2—C24 | 112.31 (13) | C11—C12—H12 | 109.1 (13) |
C23—N2—C26 | 124.73 (14) | C11—C12—H12' | 105.4 (13) |
C24—N2—C26 | 122.86 (13) | H12—C12—H12' | 110.5 (18) |
C2—C1—C6 | 121.37 (18) | C15—C14—H14 | 119.8 (13) |
C1—C2—C3 | 119.78 (19) | C19—C14—H14 | 119.4 (13) |
C2—C3—C4 | 119.43 (19) | C14—C15—H15 | 117.1 (14) |
C3—C4—C5 | 120.50 (19) | C16—C15—H15 | 122.9 (14) |
C4—C5—C6 | 121.35 (19) | C15—C16—H16 | 120.5 (15) |
C1—C6—C5 | 117.57 (18) | C17—C16—H16 | 119.5 (15) |
C1—C6—C7 | 121.08 (16) | C16—C17—H17 | 120.0 (15) |
C5—C6—C7 | 121.35 (18) | C18—C17—H17 | 120.1 (15) |
C6—C7—C8 | 114.28 (15) | C17—C18—H18 | 120.1 (15) |
C7—C8—C9 | 112.97 (13) | C19—C18—H18 | 118.7 (15) |
C7—C8—C12 | 110.77 (14) | C19—C20—H20 | 109.4 (13) |
C9—C8—C12 | 109.05 (14) | C19—C20—H20' | 110.4 (12) |
C8—C9—C10 | 112.83 (13) | C21—C20—H20 | 109.6 (12) |
N1—C10—C9 | 110.23 (13) | C21—C20—H20' | 107.9 (12) |
N1—C11—C12 | 110.86 (14) | H20—C20—H20' | 105.8 (17) |
C8—C12—C11 | 111.47 (14) | C20—C21—H21 | 108.8 (12) |
S1—C13—S2 | 118.74 (10) | C22—C21—H21 | 107.7 (12) |
S1—C13—N1 | 118.28 (11) | C25—C21—H21 | 107.7 (11) |
S2—C13—N1 | 122.98 (12) | C21—C22—H22 | 110.9 (11) |
C15—C14—C19 | 120.82 (17) | C21—C22—H22' | 109.6 (12) |
C14—C15—C16 | 119.92 (19) | C23—C22—H22 | 106.9 (12) |
C15—C16—C17 | 120.02 (19) | C23—C22—H22' | 108.6 (12) |
C16—C17—C18 | 119.9 (2) | H22—C22—H22' | 108.4 (15) |
C17—C18—C19 | 121.24 (18) | N2—C23—H23 | 109.2 (12) |
C14—C19—C18 | 118.06 (16) | N2—C23—H23' | 104.7 (13) |
C14—C19—C20 | 121.05 (16) | C22—C23—H23 | 110.1 (12) |
C18—C19—C20 | 120.85 (16) | C22—C23—H23' | 111.1 (13) |
C19—C20—C21 | 113.50 (15) | H23—C23—H23' | 110.7 (17) |
C20—C21—C22 | 112.28 (13) | N2—C24—H24 | 108.1 (12) |
C20—C21—C25 | 110.50 (14) | N2—C24—H24' | 109.8 (12) |
C22—C21—C25 | 109.73 (13) | C25—C24—H24 | 109.9 (13) |
C21—C22—C23 | 112.35 (13) | C25—C24—H24' | 110.6 (13) |
N2—C23—C22 | 110.82 (14) | H24—C24—H24' | 108.6 (16) |
N2—C24—C25 | 109.92 (14) | C21—C25—H25 | 111.0 (12) |
C21—C25—C24 | 112.27 (14) | C21—C25—H25' | 109.8 (12) |
S3—C26—S4 | 118.58 (9) | C24—C25—H25 | 108.9 (12) |
S3—C26—N2 | 118.22 (11) | C24—C25—H25' | 107.5 (13) |
S4—C26—N2 | 123.20 (12) | H25—C25—H25' | 107.3 (17) |
C2—C1—H1 | 121.2 (13) | Sn—C27—H27 | 106.8 (15) |
C6—C1—H1 | 117.4 (13) | Sn—C27—H27' | 107.0 (13) |
C1—C2—H2 | 120.1 (15) | Sn—C27—H27" | 107.2 (16) |
C3—C2—H2 | 120.1 (15) | H27—C27—H27' | 106 (2) |
C2—C3—H3 | 121.1 (16) | H27—C27—H27" | 119 (2) |
C4—C3—H3 | 119.4 (16) | H27'—C27—H27" | 110 (2) |
C3—C4—H4 | 118.7 (19) | Sn—C28—H28 | 110.6 (17) |
C5—C4—H4 | 120.8 (19) | Sn—C28—H28' | 105.6 (16) |
C4—C5—H5 | 119.7 (14) | Sn—C28—H28" | 108.4 (17) |
C6—C5—H5 | 118.8 (14) | H28—C28—H28' | 110 (2) |
C6—C7—H7 | 110.6 (12) | H28—C28—H28" | 112 (3) |
C6—C7—H7' | 107.7 (18) | H28'—C28—H28" | 110 (3) |
C8—C7—H7 | 106.6 (12) | ||
S2—Sn—S1—C13 | −4.91 (5) | C23—N2—C26—S3 | −2.1 (2) |
S3—Sn—S1—C13 | 177.56 (5) | C23—N2—C26—S4 | 178.30 (12) |
S4—Sn—S1—C13 | 171.82 (5) | C24—N2—C26—S3 | −177.99 (12) |
C27—Sn—S1—C13 | 72.65 (7) | C24—N2—C26—S4 | 2.4 (2) |
C28—Sn—S1—C13 | −76.02 (8) | C6—C1—C2—C3 | 0.8 (3) |
S1—Sn—S2—C13 | 5.14 (5) | C2—C1—C6—C5 | −0.4 (3) |
S3—Sn—S2—C13 | 9.63 (6) | C2—C1—C6—C7 | 178.65 (18) |
S4—Sn—S2—C13 | −171.46 (5) | C1—C2—C3—C4 | −0.5 (3) |
C27—Sn—S2—C13 | −102.04 (7) | C2—C3—C4—C5 | −0.2 (3) |
C28—Sn—S2—C13 | 120.38 (7) | C3—C4—C5—C6 | 0.6 (3) |
S1—Sn—S3—C26 | −170.40 (5) | C4—C5—C6—C1 | −0.3 (3) |
S2—Sn—S3—C26 | −174.50 (5) | C4—C5—C6—C7 | −179.34 (18) |
S4—Sn—S3—C26 | 6.13 (5) | C1—C6—C7—C8 | −68.5 (2) |
C27—Sn—S3—C26 | −68.94 (8) | C5—C6—C7—C8 | 110.53 (19) |
C28—Sn—S3—C26 | 82.24 (8) | C6—C7—C8—C9 | −59.4 (2) |
S1—Sn—S4—C26 | −0.07 (6) | C6—C7—C8—C12 | 177.94 (15) |
S2—Sn—S4—C26 | 174.28 (5) | C7—C8—C9—C10 | −176.92 (15) |
S3—Sn—S4—C26 | −6.38 (5) | C12—C8—C9—C10 | −53.29 (19) |
C27—Sn—S4—C26 | 104.68 (7) | C7—C8—C12—C11 | 178.86 (15) |
C28—Sn—S4—C26 | −118.52 (7) | C9—C8—C12—C11 | 53.93 (18) |
Sn—S1—C13—S2 | 8.94 (9) | C8—C9—C10—N1 | 54.50 (19) |
Sn—S1—C13—N1 | −170.60 (11) | N1—C11—C12—C8 | −56.9 (2) |
Sn—S2—C13—S1 | −7.62 (8) | C19—C14—C15—C16 | −0.6 (3) |
Sn—S2—C13—N1 | 171.90 (13) | C15—C14—C19—C18 | −0.4 (3) |
Sn—S3—C26—S4 | −11.09 (9) | C15—C14—C19—C20 | 177.23 (18) |
Sn—S3—C26—N2 | 169.25 (12) | C14—C15—C16—C17 | 1.3 (3) |
Sn—S4—C26—S3 | 9.49 (8) | C15—C16—C17—C18 | −0.9 (3) |
Sn—S4—C26—N2 | −170.87 (14) | C16—C17—C18—C19 | −0.2 (3) |
C11—N1—C10—C9 | −56.46 (18) | C17—C18—C19—C14 | 0.8 (3) |
C13—N1—C10—C9 | 130.19 (16) | C17—C18—C19—C20 | −176.87 (19) |
C10—N1—C11—C12 | 58.24 (19) | C14—C19—C20—C21 | −88.0 (2) |
C13—N1—C11—C12 | −128.46 (17) | C18—C19—C20—C21 | 89.6 (2) |
C10—N1—C13—S1 | −176.74 (12) | C19—C20—C21—C22 | −57.05 (19) |
C10—N1—C13—S2 | 3.8 (2) | C19—C20—C21—C25 | −179.91 (13) |
C11—N1—C13—S1 | 10.7 (2) | C20—C21—C22—C23 | −174.71 (13) |
C11—N1—C13—S2 | −168.87 (12) | C25—C21—C22—C23 | −51.41 (18) |
C24—N2—C23—C22 | −58.28 (17) | C20—C21—C25—C24 | 176.91 (14) |
C26—N2—C23—C22 | 125.41 (16) | C22—C21—C25—C24 | 52.58 (18) |
C23—N2—C24—C25 | 59.00 (17) | C21—C22—C23—N2 | 54.40 (17) |
C26—N2—C24—C25 | −124.62 (16) | N2—C24—C25—C21 | −56.34 (18) |
Symmetry codes: (i) x−1, y+1, z; (ii) −x+1, −y+1, −z; (iii) −x+1, −y, −z; (iv) −x+3, −y+1, −z+1; (v) x−1, y, z; (vi) −x+3, −y, −z+1; (vii) x+1, y, z; (viii) x+1, y−1, z; (ix) −x+2, −y+1, −z; (x) −x+4, −y, −z+1; (xi) −x+2, −y, −z. |
D—H···A | D—H | H···A | D···A | D—H···A |
C10—H10···S2 | 0.98 (2) | 2.54 (2) | 3.0666 (19) | 113.7 (14) |
C11—H11′···S1 | 1.01 (2) | 2.43 (2) | 3.011 (2) | 116.3 (14) |
C23—H23···S3 | 0.94 (2) | 2.490 (19) | 3.0207 (18) | 116.1 (14) |
C24—H24′···S4 | 0.93 (2) | 2.56 (2) | 3.0681 (18) | 114.9 (15) |