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The Sn atom in the title compound, [Sn(CH3)2(C13H16NS2)2], has a highly distorted octa­hedral geometry that may be best described as skew-trapezoidal planar for thio­carboxyl­ates. The ligands are asymmetrically coordinated to the Sn atom, with shorter Sn—S bond lengths that are very close to the sum of the covalent radii of Sn and S, while the longer Sn—S distances are significantly less than the sum of their van der Waals radii.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806056236/bv2043sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806056236/bv2043Isup2.hkl
Contains datablock I

CCDC reference: 636854

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.020
  • wR factor = 0.051
  • Data-to-parameter ratio = 14.9

checkCIF/PLATON results

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Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Sn - S4 .. 23.69 su
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 100 Deg. PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 38 PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 = 3 PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.10 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Sn - S2 .. 6.37 su PLAT391_ALERT_3_C Deviating Methyl C27 H-C-H Bond Angle ...... 119.00 Deg.
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

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.

Bis(4-benzylpiperidine-1-carbodithioato-κ2S,S')dimethyltin(IV) top
Crystal data top
[Sn(CH3)2(C13H16NS2)2]Z = 2
Mr = 649.60F(000) = 668
Triclinic, P1The 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 1Dx = 1.457 Mg m3
a = 9.8937 (6) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.4658 (7) ÅCell parameters from 9452 reflections
c = 14.2179 (8) Åθ = 2.7–29.8°
α = 99.811 (1)°µ = 1.16 mm1
β = 108.859 (1)°T = 100 K
γ = 96.158 (1)°Block, colourless
V = 1480.99 (15) Å30.49 × 0.43 × 0.41 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
6972 independent reflections
Radiation source: fine focus sealed Siemens Mo tube6620 reflections with I > 2σ(I)
Parallel mounted graphite monochromatorRint = 0.013
Detector resolution: 4096x4096 / 62x62 (binned 512) pixels mm-1θmax = 28.3°, θmin = 2.6°
φ and ω scansh = 1312
Absorption correction: multi-scan
(SADABS; Sheldrick, 2001)
k = 1515
Tmin = 0.540, Tmax = 0.620l = 1816
11332 measured reflections
Refinement top
Refinement on F2Primary atom site location: heavy-atom method
Least-squares matrix: fullSecondary atom site location: structure-invariant direct methods
R[F2 > 2σ(F2)] = 0.020Hydrogen site location: difference Fourier map
wR(F2) = 0.051All 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 parametersΔρmax = 0.53 e Å3
0 restraintsΔρmin = 0.43 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Sn0.99487 (1)0.37860 (1)0.22505 (1)0.0172 (1)
S10.77165 (4)0.21795 (3)0.15723 (3)0.0208 (1)
S20.71626 (4)0.46280 (3)0.13579 (3)0.0249 (1)
S31.12035 (4)0.20196 (3)0.25974 (3)0.0224 (1)
S41.31412 (4)0.43929 (3)0.33146 (3)0.0244 (1)
N10.50847 (14)0.27619 (11)0.10107 (10)0.0213 (4)
N21.39441 (14)0.23714 (11)0.38351 (10)0.0206 (4)
C10.1280 (2)0.16235 (17)0.11731 (15)0.0343 (5)
C20.2443 (2)0.22060 (18)0.15226 (16)0.0388 (6)
C30.2627 (2)0.26715 (17)0.23819 (16)0.0371 (6)
C40.1645 (2)0.25586 (18)0.28764 (15)0.0373 (6)
C50.0483 (2)0.19899 (16)0.25189 (14)0.0333 (5)
C60.02758 (19)0.15082 (14)0.16629 (13)0.0283 (5)
C70.1006 (2)0.08967 (15)0.12647 (15)0.0316 (5)
C80.21326 (17)0.15897 (13)0.02499 (12)0.0230 (4)
C90.27774 (18)0.28381 (13)0.02975 (12)0.0222 (4)
C100.39554 (18)0.34990 (14)0.06970 (13)0.0239 (4)
C110.44982 (19)0.15745 (14)0.11080 (13)0.0260 (5)
C120.33564 (19)0.08891 (14)0.01134 (14)0.0269 (5)
C130.64974 (16)0.31800 (12)0.12792 (11)0.0183 (4)
C141.83150 (19)0.11115 (16)0.46298 (14)0.0277 (5)
C151.8220 (2)0.23309 (17)0.46302 (16)0.0350 (6)
C161.7315 (2)0.31705 (17)0.37774 (18)0.0401 (7)
C171.6531 (2)0.28004 (18)0.29222 (17)0.0389 (6)
C181.6634 (2)0.15865 (17)0.29220 (14)0.0322 (6)
C191.75187 (18)0.07210 (14)0.37761 (13)0.0247 (5)
C201.75657 (19)0.05982 (16)0.37874 (14)0.0276 (5)
C211.64333 (17)0.11384 (13)0.41763 (12)0.0209 (4)
C221.48909 (17)0.04880 (13)0.35580 (12)0.0207 (4)
C231.37638 (18)0.10892 (14)0.38764 (13)0.0232 (5)
C241.53928 (18)0.30319 (14)0.44885 (13)0.0245 (4)
C251.65449 (17)0.24772 (14)0.41645 (13)0.0237 (4)
C261.28996 (16)0.29037 (12)0.33160 (11)0.0186 (4)
C270.9874 (2)0.46719 (15)0.36686 (13)0.0269 (5)
C281.0364 (2)0.43318 (17)0.10113 (13)0.0278 (5)
H10.112 (2)0.1323 (19)0.0585 (17)0.039 (6)*
H20.308 (3)0.229 (2)0.1181 (17)0.043 (6)*
H30.341 (3)0.308 (2)0.2630 (17)0.043 (6)*
H40.175 (3)0.290 (2)0.3419 (19)0.052 (7)*
H50.017 (2)0.188 (2)0.2891 (17)0.043 (6)*
H70.153 (2)0.0776 (19)0.1764 (16)0.042 (6)*
H7'0.065 (3)0.015 (2)0.1152 (18)0.051 (7)*
H80.166 (2)0.1691 (16)0.0247 (14)0.024 (5)*
H90.322 (2)0.2789 (17)0.0821 (15)0.028 (5)*
H9'0.204 (2)0.3306 (17)0.0463 (14)0.027 (5)*
H100.441 (2)0.4260 (17)0.0619 (14)0.026 (5)*
H10'0.354 (2)0.3677 (17)0.1262 (15)0.032 (5)*
H110.402 (2)0.1710 (18)0.1646 (16)0.036 (5)*
H11'0.532 (2)0.1116 (17)0.1305 (15)0.028 (5)*
H120.300 (2)0.0123 (19)0.0197 (16)0.036 (5)*
H12'0.386 (2)0.0798 (19)0.0382 (16)0.040 (6)*
H141.891 (2)0.0538 (18)0.5221 (16)0.031 (5)*
H151.875 (2)0.2537 (19)0.5221 (16)0.035 (5)*
H161.723 (3)0.399 (2)0.3776 (18)0.051 (7)*
H171.591 (3)0.339 (2)0.232 (2)0.057 (7)*
H181.612 (2)0.134 (2)0.2356 (17)0.040 (6)*
H201.852 (2)0.1030 (18)0.4199 (15)0.030 (5)*
H20'1.740 (2)0.0743 (18)0.3089 (16)0.034 (5)*
H211.663 (2)0.1065 (16)0.4870 (15)0.026 (5)*
H221.4760 (19)0.0322 (16)0.3643 (13)0.020 (4)*
H22'1.470 (2)0.0469 (16)0.2849 (15)0.025 (5)*
H231.283 (2)0.0707 (16)0.3448 (14)0.024 (5)*
H23'1.389 (2)0.1089 (18)0.4584 (16)0.032 (5)*
H241.552 (2)0.2982 (16)0.5173 (15)0.027 (5)*
H24'1.546 (2)0.3837 (17)0.4449 (14)0.025 (5)*
H251.751 (2)0.2927 (18)0.4613 (15)0.030 (5)*
H25'1.642 (2)0.2583 (17)0.3501 (15)0.026 (5)*
H270.898 (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)*
H280.962 (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)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn0.0186 (1)0.0174 (1)0.0154 (1)0.0050 (1)0.0052 (1)0.0033 (1)
S10.0185 (2)0.0176 (2)0.0260 (2)0.0057 (1)0.0057 (2)0.0063 (1)
S20.0196 (2)0.0162 (2)0.0357 (2)0.0043 (1)0.0050 (2)0.0060 (2)
S30.0180 (2)0.0176 (2)0.0251 (2)0.0046 (1)0.0004 (1)0.0007 (1)
S40.0248 (2)0.0167 (2)0.0262 (2)0.0040 (1)0.0019 (2)0.0034 (1)
N10.0182 (6)0.0188 (6)0.0254 (7)0.0042 (5)0.0043 (5)0.0066 (5)
N20.0170 (6)0.0181 (6)0.0235 (7)0.0044 (5)0.0031 (5)0.0030 (5)
C10.0273 (9)0.0372 (9)0.0303 (9)0.0049 (7)0.0022 (7)0.0080 (7)
C20.0234 (10)0.0446 (10)0.0426 (11)0.0006 (8)0.0098 (8)0.0014 (8)
C30.0217 (9)0.0298 (9)0.0477 (12)0.0024 (7)0.0017 (8)0.0051 (8)
C40.0310 (10)0.0396 (10)0.0303 (10)0.0037 (8)0.0015 (8)0.0093 (8)
C50.0270 (9)0.0381 (9)0.0268 (9)0.0003 (7)0.0043 (7)0.0006 (7)
C60.0226 (8)0.0211 (7)0.0291 (9)0.0025 (6)0.0013 (7)0.0021 (6)
C70.0266 (9)0.0245 (8)0.0334 (10)0.0022 (7)0.0009 (7)0.0001 (7)
C80.0194 (8)0.0225 (7)0.0240 (8)0.0020 (6)0.0039 (6)0.0055 (6)
C90.0207 (8)0.0206 (7)0.0224 (8)0.0042 (6)0.0034 (6)0.0047 (6)
C100.0188 (8)0.0212 (7)0.0271 (8)0.0057 (6)0.0024 (6)0.0030 (6)
C110.0236 (8)0.0248 (7)0.0299 (9)0.0041 (6)0.0071 (7)0.0116 (6)
C120.0252 (9)0.0175 (7)0.0335 (9)0.0023 (6)0.0048 (7)0.0057 (6)
C130.0200 (7)0.0188 (6)0.0150 (7)0.0055 (5)0.0044 (5)0.0032 (5)
C140.0259 (9)0.0346 (9)0.0288 (9)0.0123 (7)0.0132 (7)0.0115 (7)
C150.0401 (11)0.0413 (10)0.0393 (10)0.0237 (8)0.0233 (9)0.0212 (8)
C160.0445 (12)0.0294 (9)0.0610 (13)0.0186 (8)0.0324 (11)0.0127 (9)
C170.0335 (10)0.0360 (9)0.0462 (12)0.0131 (8)0.0168 (9)0.0036 (8)
C180.0299 (10)0.0417 (10)0.0294 (9)0.0186 (8)0.0130 (8)0.0064 (7)
C190.0225 (8)0.0312 (8)0.0291 (8)0.0128 (6)0.0157 (7)0.0112 (6)
C200.0212 (8)0.0337 (8)0.0354 (9)0.0106 (7)0.0138 (7)0.0156 (7)
C210.0169 (7)0.0243 (7)0.0224 (8)0.0061 (5)0.0054 (6)0.0086 (6)
C220.0192 (8)0.0202 (7)0.0230 (8)0.0063 (5)0.0058 (6)0.0065 (5)
C230.0187 (8)0.0207 (7)0.0306 (9)0.0063 (6)0.0073 (7)0.0077 (6)
C240.0199 (8)0.0209 (7)0.0253 (8)0.0028 (6)0.0002 (6)0.0010 (6)
C250.0174 (8)0.0234 (7)0.0259 (8)0.0017 (6)0.0016 (6)0.0071 (6)
C260.0186 (7)0.0182 (6)0.0169 (7)0.0045 (5)0.0048 (5)0.0005 (5)
C270.0326 (10)0.0267 (8)0.0228 (8)0.0089 (7)0.0120 (7)0.0024 (6)
C280.0249 (9)0.0395 (10)0.0204 (8)0.0064 (7)0.0073 (7)0.0112 (7)
Geometric parameters (Å, º) top
Sn—S12.5190 (4)C24—C251.520 (3)
Sn—S22.9779 (5)C1—H10.93 (2)
Sn—S32.5240 (4)C2—H20.92 (3)
Sn—S42.9715 (5)C3—H30.95 (3)
Sn—C272.1253 (18)C4—H40.91 (2)
Sn—C282.1103 (19)C5—H50.96 (2)
S1—C131.7548 (16)C7—H71.01 (2)
S2—C131.6902 (15)C7—H7'0.95 (2)
S3—C261.7496 (16)C8—H80.96 (2)
S4—C261.6990 (15)C9—H90.98 (2)
N1—C101.473 (2)C9—H9'0.94 (2)
N1—C111.468 (2)C10—H100.98 (2)
N1—C131.333 (2)C10—H10'1.02 (2)
N2—C231.475 (2)C11—H111.02 (2)
N2—C241.469 (2)C11—H11'1.01 (2)
N2—C261.335 (2)C12—H120.95 (2)
C1—C21.388 (3)C12—H12'0.98 (2)
C1—C61.391 (3)C14—H140.95 (2)
C2—C31.382 (3)C15—H150.92 (2)
C3—C41.376 (3)C16—H160.93 (2)
C4—C51.379 (3)C17—H170.97 (3)
C5—C61.386 (3)C18—H180.91 (2)
C6—C71.511 (3)C20—H200.96 (2)
C7—C81.528 (3)C20—H20'1.00 (2)
C8—C91.525 (2)C21—H210.96 (2)
C8—C121.524 (3)C22—H220.957 (19)
C9—C101.521 (2)C22—H22'0.96 (2)
C11—C121.514 (3)C23—H230.94 (2)
C14—C151.391 (3)C23—H23'0.97 (2)
C14—C191.392 (3)C24—H240.95 (2)
C15—C161.384 (3)C24—H24'0.93 (2)
C16—C171.377 (3)C25—H250.99 (2)
C17—C181.385 (3)C25—H25'0.94 (2)
C18—C191.393 (3)C27—H270.91 (3)
C19—C201.506 (2)C27—H27'0.93 (2)
C20—C211.542 (3)C27—H27"0.91 (3)
C21—C221.524 (2)C28—H280.90 (3)
C21—C251.531 (2)C28—H28'0.92 (2)
C22—C231.519 (3)C28—H28"0.88 (3)
S1···S22.9645 (5)H5···H72.38 (3)
S1···S33.3221 (6)H7···H52.38 (3)
S1···C273.6445 (18)H7···H92.57 (3)
S2···S12.9645 (5)H7···H12'2.49 (3)
S2···C17i3.618 (2)H7···C18xi2.99 (2)
S2···C9ii3.4973 (16)H7'···H12.56 (4)
S2···C283.402 (2)H7'···H122.50 (3)
S2···C273.4942 (18)H7'···S3iii2.94 (2)
S3···C7iii3.6256 (19)H8···C12.94 (2)
S3···S13.3221 (6)H8···H12.57 (3)
S3···S42.9650 (6)H8···H112.53 (3)
S4···C24iv3.6862 (17)H9···H72.57 (3)
S4···C283.5132 (19)H9···H12'2.56 (3)
S4···S32.9650 (6)H9···C17xi3.08 (2)
S4···C273.468 (2)H9'···C62.77 (2)
S1···H20'v3.00 (2)H9'···H28"v2.55 (3)
S1···H12iii3.16 (2)H9'···S2ii3.02 (2)
S1···H11'2.43 (2)H10···S22.54 (2)
S2···H17i3.04 (3)H10'···S4v3.06 (2)
S2···H102.54 (2)H10'···H112.47 (3)
S2···H9'ii3.02 (2)H10'···H28"v2.37 (4)
S3···H232.490 (19)H11···H82.53 (3)
S3···H15vi3.04 (2)H11···H10'2.47 (3)
S3···H7'iii2.94 (2)H11···H22'v2.39 (3)
S4···H10'vii3.06 (2)H11'···S12.43 (2)
S4···H27"3.06 (3)H12···H7'2.50 (3)
S4···H28"3.19 (3)H12···S1iii3.16 (2)
S4···H24'2.56 (2)H12'···H72.49 (3)
C7···S3iii3.6256 (19)H12'···H92.56 (3)
C9···S2ii3.4973 (16)H14···H202.48 (3)
C14···C23vi3.400 (3)H14···C14x3.09 (2)
C15···C23vi3.557 (3)H14···H20x2.56 (3)
C15···C26vi3.574 (3)H15···S3vi3.04 (2)
C17···S2viii3.618 (2)H15···C26vi3.08 (2)
C18···C223.257 (3)H17···S2viii3.04 (3)
C22···C183.257 (3)H18···C223.08 (2)
C23···C14vi3.400 (3)H18···H20'2.46 (3)
C23···C15vi3.557 (3)H20···H142.48 (3)
C24···S4iv3.6862 (17)H20···H252.55 (3)
C26···C15vi3.574 (3)H20···C14x3.02 (2)
C27···S23.4942 (18)H20···H14x2.56 (3)
C27···S43.468 (2)H20'···S1vii3.00 (2)
C27···S13.6445 (18)H20'···H182.46 (3)
C28···C28ix3.396 (3)H20'···H22'2.56 (3)
C28···S43.5132 (19)H20'···H25'2.47 (3)
C28···S23.402 (2)H21···H242.59 (3)
C1···H28v3.09 (2)H22···C182.809 (19)
C1···H82.94 (2)H22···C192.77 (2)
C3···H28'ii2.96 (3)H22'···C11vii2.929 (19)
C4···H28'ii3.09 (2)H22'···H11vii2.39 (3)
C6···H9'2.77 (2)H22'···H20'2.56 (3)
C8···H13.07 (2)H23···S32.490 (19)
C9···H28"v3.08 (3)H23'···H242.40 (3)
C10···H28"v3.05 (3)H23'···C14vi2.76 (2)
C11···H22'v2.929 (19)H23'···C15vi3.04 (2)
C14···H14x3.09 (2)H24···H212.59 (3)
C14···H23'vi2.76 (2)H24···H23'2.40 (3)
C14···H20x3.02 (2)H24'···S42.56 (2)
C15···H23'vi3.04 (2)H25···H202.55 (3)
C17···H3iii2.95 (3)H25'···H20'2.47 (3)
C17···H9xi3.08 (2)H28···C1vii3.09 (2)
C18···H7xi2.99 (2)H28···C28ix3.02 (2)
C18···H222.809 (19)H28···H28'ix2.57 (3)
C19···H222.77 (2)H28'···C3ii2.96 (3)
C22···H183.08 (2)H28'···C4ii3.09 (2)
C26···H15vi3.08 (2)H28'···C28ix3.09 (2)
C28···H28ix3.02 (2)H28'···H28ix2.57 (3)
C28···H28'ix3.09 (2)H28"···C9vii3.08 (3)
H1···C83.07 (2)H28"···C10vii3.05 (3)
H1···H7'2.56 (4)H28"···H9'vii2.55 (3)
H1···H82.57 (3)H28"···H10'vii2.37 (4)
H3···C17iii2.95 (3)
S1—Sn—S264.64 (1)C8—C7—H7'106.6 (15)
S1—Sn—S382.41 (1)H7—C7—H7'111 (2)
S1—Sn—S4146.94 (1)C7—C8—H8108.0 (12)
S1—Sn—C27103.06 (5)C9—C8—H8107.5 (11)
S1—Sn—C28108.78 (5)C12—C8—H8108.3 (12)
S2—Sn—S3146.97 (1)C8—C9—H9110.9 (12)
S2—Sn—S4148.33 (1)C8—C9—H9'109.9 (12)
S2—Sn—C2784.67 (5)C10—C9—H9106.6 (12)
S2—Sn—C2882.01 (6)C10—C9—H9'108.7 (12)
S3—Sn—S464.71 (1)H9—C9—H9'107.8 (17)
S3—Sn—C27106.16 (5)N1—C10—H10108.4 (12)
S3—Sn—C28107.93 (6)N1—C10—H10'108.1 (11)
S4—Sn—C2783.98 (6)C9—C10—H10110.6 (11)
S4—Sn—C2885.70 (5)C9—C10—H10'110.9 (12)
C27—Sn—C28135.64 (7)H10—C10—H10'108.5 (16)
Sn—S1—C1394.81 (5)N1—C11—H11107.4 (12)
Sn—S2—C1381.09 (6)N1—C11—H11'108.3 (12)
Sn—S3—C2694.59 (5)C12—C11—H11108.4 (12)
Sn—S4—C2681.01 (6)C12—C11—H11'109.7 (11)
C10—N1—C11112.61 (14)H11—C11—H11'112.3 (16)
C10—N1—C13123.18 (13)C8—C12—H12111.4 (13)
C11—N1—C13123.85 (14)C8—C12—H12'108.9 (13)
C23—N2—C24112.31 (13)C11—C12—H12109.1 (13)
C23—N2—C26124.73 (14)C11—C12—H12'105.4 (13)
C24—N2—C26122.86 (13)H12—C12—H12'110.5 (18)
C2—C1—C6121.37 (18)C15—C14—H14119.8 (13)
C1—C2—C3119.78 (19)C19—C14—H14119.4 (13)
C2—C3—C4119.43 (19)C14—C15—H15117.1 (14)
C3—C4—C5120.50 (19)C16—C15—H15122.9 (14)
C4—C5—C6121.35 (19)C15—C16—H16120.5 (15)
C1—C6—C5117.57 (18)C17—C16—H16119.5 (15)
C1—C6—C7121.08 (16)C16—C17—H17120.0 (15)
C5—C6—C7121.35 (18)C18—C17—H17120.1 (15)
C6—C7—C8114.28 (15)C17—C18—H18120.1 (15)
C7—C8—C9112.97 (13)C19—C18—H18118.7 (15)
C7—C8—C12110.77 (14)C19—C20—H20109.4 (13)
C9—C8—C12109.05 (14)C19—C20—H20'110.4 (12)
C8—C9—C10112.83 (13)C21—C20—H20109.6 (12)
N1—C10—C9110.23 (13)C21—C20—H20'107.9 (12)
N1—C11—C12110.86 (14)H20—C20—H20'105.8 (17)
C8—C12—C11111.47 (14)C20—C21—H21108.8 (12)
S1—C13—S2118.74 (10)C22—C21—H21107.7 (12)
S1—C13—N1118.28 (11)C25—C21—H21107.7 (11)
S2—C13—N1122.98 (12)C21—C22—H22110.9 (11)
C15—C14—C19120.82 (17)C21—C22—H22'109.6 (12)
C14—C15—C16119.92 (19)C23—C22—H22106.9 (12)
C15—C16—C17120.02 (19)C23—C22—H22'108.6 (12)
C16—C17—C18119.9 (2)H22—C22—H22'108.4 (15)
C17—C18—C19121.24 (18)N2—C23—H23109.2 (12)
C14—C19—C18118.06 (16)N2—C23—H23'104.7 (13)
C14—C19—C20121.05 (16)C22—C23—H23110.1 (12)
C18—C19—C20120.85 (16)C22—C23—H23'111.1 (13)
C19—C20—C21113.50 (15)H23—C23—H23'110.7 (17)
C20—C21—C22112.28 (13)N2—C24—H24108.1 (12)
C20—C21—C25110.50 (14)N2—C24—H24'109.8 (12)
C22—C21—C25109.73 (13)C25—C24—H24109.9 (13)
C21—C22—C23112.35 (13)C25—C24—H24'110.6 (13)
N2—C23—C22110.82 (14)H24—C24—H24'108.6 (16)
N2—C24—C25109.92 (14)C21—C25—H25111.0 (12)
C21—C25—C24112.27 (14)C21—C25—H25'109.8 (12)
S3—C26—S4118.58 (9)C24—C25—H25108.9 (12)
S3—C26—N2118.22 (11)C24—C25—H25'107.5 (13)
S4—C26—N2123.20 (12)H25—C25—H25'107.3 (17)
C2—C1—H1121.2 (13)Sn—C27—H27106.8 (15)
C6—C1—H1117.4 (13)Sn—C27—H27'107.0 (13)
C1—C2—H2120.1 (15)Sn—C27—H27"107.2 (16)
C3—C2—H2120.1 (15)H27—C27—H27'106 (2)
C2—C3—H3121.1 (16)H27—C27—H27"119 (2)
C4—C3—H3119.4 (16)H27'—C27—H27"110 (2)
C3—C4—H4118.7 (19)Sn—C28—H28110.6 (17)
C5—C4—H4120.8 (19)Sn—C28—H28'105.6 (16)
C4—C5—H5119.7 (14)Sn—C28—H28"108.4 (17)
C6—C5—H5118.8 (14)H28—C28—H28'110 (2)
C6—C7—H7110.6 (12)H28—C28—H28"112 (3)
C6—C7—H7'107.7 (18)H28'—C28—H28"110 (3)
C8—C7—H7106.6 (12)
S2—Sn—S1—C134.91 (5)C23—N2—C26—S32.1 (2)
S3—Sn—S1—C13177.56 (5)C23—N2—C26—S4178.30 (12)
S4—Sn—S1—C13171.82 (5)C24—N2—C26—S3177.99 (12)
C27—Sn—S1—C1372.65 (7)C24—N2—C26—S42.4 (2)
C28—Sn—S1—C1376.02 (8)C6—C1—C2—C30.8 (3)
S1—Sn—S2—C135.14 (5)C2—C1—C6—C50.4 (3)
S3—Sn—S2—C139.63 (6)C2—C1—C6—C7178.65 (18)
S4—Sn—S2—C13171.46 (5)C1—C2—C3—C40.5 (3)
C27—Sn—S2—C13102.04 (7)C2—C3—C4—C50.2 (3)
C28—Sn—S2—C13120.38 (7)C3—C4—C5—C60.6 (3)
S1—Sn—S3—C26170.40 (5)C4—C5—C6—C10.3 (3)
S2—Sn—S3—C26174.50 (5)C4—C5—C6—C7179.34 (18)
S4—Sn—S3—C266.13 (5)C1—C6—C7—C868.5 (2)
C27—Sn—S3—C2668.94 (8)C5—C6—C7—C8110.53 (19)
C28—Sn—S3—C2682.24 (8)C6—C7—C8—C959.4 (2)
S1—Sn—S4—C260.07 (6)C6—C7—C8—C12177.94 (15)
S2—Sn—S4—C26174.28 (5)C7—C8—C9—C10176.92 (15)
S3—Sn—S4—C266.38 (5)C12—C8—C9—C1053.29 (19)
C27—Sn—S4—C26104.68 (7)C7—C8—C12—C11178.86 (15)
C28—Sn—S4—C26118.52 (7)C9—C8—C12—C1153.93 (18)
Sn—S1—C13—S28.94 (9)C8—C9—C10—N154.50 (19)
Sn—S1—C13—N1170.60 (11)N1—C11—C12—C856.9 (2)
Sn—S2—C13—S17.62 (8)C19—C14—C15—C160.6 (3)
Sn—S2—C13—N1171.90 (13)C15—C14—C19—C180.4 (3)
Sn—S3—C26—S411.09 (9)C15—C14—C19—C20177.23 (18)
Sn—S3—C26—N2169.25 (12)C14—C15—C16—C171.3 (3)
Sn—S4—C26—S39.49 (8)C15—C16—C17—C180.9 (3)
Sn—S4—C26—N2170.87 (14)C16—C17—C18—C190.2 (3)
C11—N1—C10—C956.46 (18)C17—C18—C19—C140.8 (3)
C13—N1—C10—C9130.19 (16)C17—C18—C19—C20176.87 (19)
C10—N1—C11—C1258.24 (19)C14—C19—C20—C2188.0 (2)
C13—N1—C11—C12128.46 (17)C18—C19—C20—C2189.6 (2)
C10—N1—C13—S1176.74 (12)C19—C20—C21—C2257.05 (19)
C10—N1—C13—S23.8 (2)C19—C20—C21—C25179.91 (13)
C11—N1—C13—S110.7 (2)C20—C21—C22—C23174.71 (13)
C11—N1—C13—S2168.87 (12)C25—C21—C22—C2351.41 (18)
C24—N2—C23—C2258.28 (17)C20—C21—C25—C24176.91 (14)
C26—N2—C23—C22125.41 (16)C22—C21—C25—C2452.58 (18)
C23—N2—C24—C2559.00 (17)C21—C22—C23—N254.40 (17)
C26—N2—C24—C25124.62 (16)N2—C24—C25—C2156.34 (18)
Symmetry codes: (i) x1, y+1, z; (ii) x+1, y+1, z; (iii) x+1, y, z; (iv) x+3, y+1, z+1; (v) x1, y, z; (vi) x+3, y, z+1; (vii) x+1, y, z; (viii) x+1, y1, z; (ix) x+2, y+1, z; (x) x+4, y, z+1; (xi) x+2, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C10—H10···S20.98 (2)2.54 (2)3.0666 (19)113.7 (14)
C11—H11···S11.01 (2)2.43 (2)3.011 (2)116.3 (14)
C23—H23···S30.94 (2)2.490 (19)3.0207 (18)116.1 (14)
C24—H24···S40.93 (2)2.56 (2)3.0681 (18)114.9 (15)
 

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