Download citation
Download citation
link to html
The title complex, [Sn(C4H9)2(C11H12N3O2S2)Cl], features an asymmetrically chelating thio­carboxyl­ate ligand. There are two molecules in the asymmetric unit. The Sn atom is five-coordinated within a C2ClS2 donor set that is best described as trigonal–bipyramidal with one S atom and the Cl atom in axial positions, subtending bond angles of 155.67 (2) and 155.11 (2)°, respectively.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680605207X/ng2171sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680605207X/ng2171Isup2.hkl
Contains datablock I

CCDC reference: 633969

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.025
  • wR factor = 0.059
  • Data-to-parameter ratio = 14.6

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 8.50 Ratio
Author Response: ...
   The are a few Hydrogen atoms with a higher Uiso  then the average
    and one (H41) with a factor 2 lower as the average, but overall
    they are not exception for an heavy atom structure.
    Otherwise we could refine them in the riding mode, but if you can
    locate the H atoms from a difference Fourier map and in the
    final refinement the are well behaved then is the result.


Alert level B PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.40 Ratio
Author Response: ...
   The are a few Hydrogen atoms with a higher Uiso  then the average
    and one (H41) with a factor 2 lower as the average, but overall
    they are not exception for an heavy atom structure.
    Otherwise we could refine them in the riding mode, but if you can
    locate the H atoms from a difference Fourier map and in the
    final refinement the are well behaved then is the result.


Alert level C PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 60 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 22
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 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.

Dibutylchloro[4-(4-nitrophenyl)piperazine-1-carbodithioato-κ2S,S']tin(IV) top
Crystal data top
[Sn(C4H9)2(C11H12N3O2S2)Cl]Z = 4
Mr = 550.76F(000) = 1120
Triclinic, P1The final unit cell was obtained from the xyz centroids of 6271 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 finalatomic coordinates of the structure did not yield extra symmetry elements (Spek, 1988; Le Page 1987, 1988)
Hall symbol: -P 1Dx = 1.602 Mg m3
a = 9.7151 (7) ÅMo Kα radiation, λ = 0.71073 Å
b = 14.978 (1) ÅCell parameters from 6271 reflections
c = 16.152 (1) Åθ = 2.5–29.8°
α = 76.553 (1)°µ = 1.44 mm1
β = 88.464 (1)°T = 100 K
γ = 87.508 (1)°Block, yellow
V = 2283.4 (3) Å30.51 × 0.21 × 0.18 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
10881 independent reflections
Radiation source: fine focus sealed Siemens Mo tube9782 reflections with I > 2σ(I)
Parallel mounted graphite monochromatorRint = 0.019
Detector resolution: 4096x4096 / 62x62 (binned 512) pixels mm-1θmax = 28.3°, θmin = 2.6°
φ and ω scansh = 1112
Absorption correction: multi-scan
(SADABS; Sheldrick, 2001)
k = 1919
Tmin = 0.510, Tmax = 0.772l = 2121
21022 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)] = 0.026Hydrogen site location: difference Fourier map
wR(F2) = 0.059All H-atom parameters refined
S = 1.05 w = 1/[σ2(Fo2) + (0.0255P)2 + 1.1175P]
where P = (Fo2 + 2Fc2)/3
10881 reflections(Δ/σ)max = 0.001
745 parametersΔρmax = 0.94 e Å3
0 restraintsΔρmin = 0.51 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
Sn10.06975 (1)0.30407 (1)0.06453 (1)0.0118 (1)
Cl10.10703 (5)0.36276 (3)0.04648 (3)0.0200 (1)
S110.01623 (5)0.14972 (3)0.07156 (3)0.0151 (1)
S120.20359 (5)0.17574 (3)0.18474 (3)0.0165 (1)
O110.23267 (15)0.44889 (10)0.45133 (10)0.0222 (5)
O120.08358 (16)0.43718 (10)0.54501 (9)0.0204 (4)
N110.12515 (18)0.41969 (11)0.47146 (11)0.0161 (5)
N120.17616 (17)0.18197 (10)0.21610 (10)0.0137 (5)
N130.11120 (17)0.01119 (11)0.18006 (10)0.0136 (4)
C110.0437 (2)0.36115 (12)0.40568 (12)0.0145 (5)
C120.0677 (2)0.31781 (13)0.42793 (12)0.0157 (6)
C130.1407 (2)0.25815 (13)0.36562 (12)0.0152 (5)
C140.1043 (2)0.24114 (12)0.27943 (12)0.0130 (5)
C150.0058 (2)0.29001 (13)0.25885 (13)0.0161 (6)
C160.0793 (2)0.34880 (13)0.32103 (13)0.0168 (6)
C170.2731 (2)0.11873 (13)0.23718 (13)0.0143 (5)
C180.1993 (2)0.03253 (13)0.25269 (13)0.0158 (6)
C190.0233 (2)0.05200 (13)0.14999 (14)0.0163 (6)
C1100.1076 (2)0.13579 (13)0.13729 (12)0.0145 (6)
C1110.1031 (2)0.10166 (13)0.14977 (12)0.0132 (5)
C1120.0120 (2)0.37956 (13)0.15288 (13)0.0153 (6)
C1130.1573 (2)0.35279 (14)0.18365 (13)0.0171 (6)
C1140.2195 (2)0.41021 (15)0.24334 (14)0.0213 (6)
C1150.1491 (3)0.3925 (2)0.32838 (16)0.0301 (8)
C1160.2403 (2)0.33632 (15)0.02211 (14)0.0200 (6)
C1170.2992 (2)0.42962 (14)0.02383 (13)0.0183 (6)
C1180.3535 (2)0.43747 (15)0.06157 (14)0.0207 (6)
C1190.4673 (3)0.36778 (18)0.09713 (17)0.0314 (8)
H120.093 (3)0.3295 (17)0.4832 (16)0.025 (7)*
H130.213 (2)0.2282 (15)0.3813 (14)0.015 (6)*
H150.029 (2)0.2836 (16)0.2026 (15)0.021 (6)*
H160.156 (2)0.3847 (16)0.3063 (14)0.019 (6)*
H170.335 (2)0.0981 (14)0.1878 (14)0.011 (5)*
H17'0.324 (2)0.1487 (15)0.2848 (14)0.014 (5)*
H180.140 (2)0.0473 (16)0.3028 (15)0.020 (6)*
H18'0.259 (2)0.0114 (16)0.2590 (15)0.020 (6)*
H190.018 (2)0.0209 (16)0.0979 (15)0.020 (6)*
H19'0.049 (2)0.0716 (16)0.1931 (15)0.019 (6)*
H1100.049 (2)0.1744 (14)0.1183 (13)0.010 (5)*
H110'0.180 (2)0.1153 (14)0.0942 (14)0.012 (5)*
H1120.053 (2)0.3673 (15)0.1982 (14)0.016 (6)*
H112'0.013 (2)0.4431 (16)0.1213 (14)0.014 (6)*
H1130.153 (2)0.2871 (17)0.2156 (15)0.025 (6)*
H113'0.218 (2)0.3584 (15)0.1356 (14)0.017 (6)*
H1140.209 (3)0.4774 (18)0.2155 (16)0.031 (7)*
H114'0.316 (3)0.3999 (17)0.2509 (16)0.028 (7)*
H1150.160 (3)0.328 (2)0.3593 (18)0.043 (8)*
H115'0.193 (3)0.429 (2)0.3663 (18)0.041 (8)*
H115"0.057 (3)0.406 (2)0.3214 (19)0.043 (9)*
H1160.309 (3)0.2882 (18)0.0036 (16)0.033 (7)*
H116'0.203 (3)0.3352 (16)0.0779 (16)0.023 (6)*
H1170.377 (3)0.4395 (18)0.0667 (17)0.033 (7)*
H117'0.227 (3)0.4814 (18)0.0432 (16)0.032 (7)*
H1180.275 (3)0.4347 (16)0.1060 (16)0.025 (6)*
H118'0.385 (3)0.4992 (18)0.0548 (16)0.028 (7)*
H1190.436 (3)0.303 (2)0.1103 (18)0.044 (8)*
H119'0.512 (3)0.3881 (19)0.1453 (18)0.040 (8)*
H119"0.544 (3)0.3672 (19)0.0559 (19)0.042 (8)*
Sn20.42609 (1)0.17280 (1)0.44708 (1)0.0131 (1)
Cl20.61369 (6)0.10993 (3)0.54866 (3)0.0230 (2)
S210.28091 (5)0.30781 (3)0.33684 (3)0.0162 (1)
S220.50597 (5)0.32641 (3)0.45026 (3)0.0165 (1)
O210.58583 (16)0.96151 (10)0.06831 (9)0.0200 (4)
O220.74900 (16)0.97330 (10)0.01698 (10)0.0234 (5)
N210.64456 (18)0.93710 (11)0.00040 (11)0.0159 (5)
N220.43160 (17)0.64473 (10)0.24888 (10)0.0129 (4)
N230.36929 (17)0.46874 (11)0.35343 (10)0.0133 (4)
C210.5884 (2)0.86255 (12)0.06459 (12)0.0146 (5)
C220.4735 (2)0.81945 (13)0.04684 (12)0.0145 (5)
C230.4227 (2)0.74667 (13)0.10693 (12)0.0135 (5)
C240.4850 (2)0.71610 (12)0.18697 (12)0.0128 (5)
C250.6022 (2)0.76176 (13)0.20244 (13)0.0159 (5)
C260.6534 (2)0.83389 (13)0.14202 (13)0.0162 (6)
C270.3398 (2)0.58344 (13)0.22016 (13)0.0155 (5)
C280.2676 (2)0.51975 (13)0.29322 (13)0.0150 (5)
C290.4494 (2)0.53170 (13)0.38764 (12)0.0150 (6)
C2100.5245 (2)0.59729 (13)0.31644 (12)0.0143 (5)
C2110.3812 (2)0.37809 (13)0.37646 (12)0.0130 (5)
C2120.5005 (2)0.11498 (13)0.34505 (13)0.0158 (6)
C2130.5987 (2)0.17451 (14)0.28352 (14)0.0188 (6)
C2140.6222 (3)0.14065 (15)0.20169 (14)0.0227 (7)
C2150.6838 (3)0.04335 (17)0.21640 (17)0.0307 (8)
C2160.2580 (3)0.12952 (17)0.53447 (14)0.0244 (7)
C2170.1164 (2)0.14239 (15)0.49432 (15)0.0230 (7)
C2180.1017 (2)0.09066 (15)0.42500 (14)0.0209 (6)
C2190.0363 (3)0.10941 (19)0.38093 (18)0.0317 (8)
H220.429 (2)0.8389 (15)0.0037 (14)0.013 (5)*
H230.345 (2)0.7191 (16)0.0929 (14)0.019 (6)*
H250.648 (2)0.7435 (15)0.2533 (14)0.016 (6)*
H260.727 (2)0.8639 (15)0.1534 (14)0.014 (5)*
H270.393 (2)0.5436 (16)0.1852 (15)0.023 (6)*
H27'0.272 (2)0.6183 (15)0.1870 (14)0.014 (6)*
H280.208 (2)0.5558 (15)0.3246 (13)0.012 (5)*
H28'0.220 (2)0.4750 (15)0.2730 (14)0.015 (6)*
H290.512 (2)0.5004 (14)0.4260 (13)0.009 (5)*
H29'0.385 (2)0.5664 (15)0.4196 (13)0.011 (5)*
H2100.563 (2)0.6411 (14)0.3431 (12)0.006 (5)*
H210'0.598 (2)0.5637 (15)0.2930 (14)0.014 (5)*
H2120.543 (3)0.0598 (19)0.3710 (17)0.037 (8)*
H212'0.418 (3)0.1064 (16)0.3166 (15)0.019 (6)*
H2130.687 (3)0.1730 (16)0.3131 (15)0.021 (6)*
H213'0.559 (3)0.2364 (18)0.2684 (16)0.033 (7)*
H2140.535 (3)0.1424 (16)0.1731 (15)0.020 (6)*
H214'0.683 (3)0.1834 (17)0.1630 (16)0.027 (7)*
H2150.769 (3)0.0407 (19)0.2504 (18)0.039 (8)*
H215'0.705 (3)0.0267 (18)0.1641 (18)0.034 (7)*
H215"0.617 (3)0.001 (2)0.2488 (19)0.046 (9)*
H2160.278 (3)0.0644 (18)0.5574 (16)0.030 (7)*
H216'0.268 (3)0.1626 (18)0.5808 (17)0.030 (7)*
H2170.047 (3)0.1219 (18)0.5418 (17)0.036 (7)*
H217'0.097 (2)0.2068 (17)0.4710 (15)0.024 (6)*
H2180.119 (3)0.0268 (18)0.4499 (16)0.027 (7)*
H218'0.176 (3)0.1051 (16)0.3849 (16)0.023 (6)*
H2190.113 (3)0.098 (2)0.4214 (19)0.042 (8)*
H219'0.045 (3)0.0722 (19)0.3390 (18)0.037 (8)*
H219"0.041 (3)0.175 (2)0.3537 (19)0.051 (9)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Sn10.0118 (1)0.0117 (1)0.0118 (1)0.0004 (1)0.0015 (1)0.0024 (1)
Cl10.0221 (3)0.0194 (2)0.0178 (2)0.0022 (2)0.0096 (2)0.0022 (2)
S110.0163 (3)0.0127 (2)0.0159 (2)0.0002 (2)0.0069 (2)0.0020 (2)
S120.0185 (3)0.0124 (2)0.0187 (2)0.0007 (2)0.0087 (2)0.0028 (2)
O110.0148 (8)0.0281 (8)0.0227 (8)0.0071 (6)0.0020 (6)0.0030 (6)
O120.0230 (8)0.0245 (8)0.0118 (7)0.0022 (6)0.0017 (6)0.0003 (6)
N110.0172 (9)0.0143 (8)0.0158 (8)0.0016 (6)0.0024 (7)0.0022 (7)
N120.0162 (9)0.0117 (7)0.0118 (8)0.0005 (6)0.0010 (6)0.0001 (6)
N130.0128 (8)0.0128 (7)0.0152 (8)0.0005 (6)0.0049 (6)0.0030 (6)
C110.0159 (10)0.0118 (8)0.0142 (9)0.0012 (7)0.0020 (8)0.0003 (7)
C120.0203 (11)0.0155 (9)0.0104 (9)0.0013 (7)0.0014 (8)0.0013 (7)
C130.0163 (10)0.0149 (9)0.0142 (9)0.0020 (7)0.0029 (8)0.0024 (7)
C140.0151 (10)0.0107 (8)0.0121 (9)0.0014 (7)0.0003 (7)0.0008 (7)
C150.0191 (11)0.0171 (9)0.0110 (9)0.0020 (7)0.0026 (8)0.0005 (7)
C160.0157 (10)0.0171 (9)0.0168 (10)0.0021 (7)0.0026 (8)0.0020 (8)
C170.0139 (10)0.0134 (9)0.0142 (9)0.0012 (7)0.0030 (8)0.0003 (7)
C180.0205 (11)0.0125 (9)0.0141 (9)0.0005 (7)0.0083 (8)0.0018 (7)
C190.0160 (10)0.0136 (9)0.0190 (10)0.0027 (7)0.0066 (8)0.0020 (8)
C1100.0207 (11)0.0131 (9)0.0092 (9)0.0028 (7)0.0024 (8)0.0009 (7)
C1110.0119 (9)0.0154 (9)0.0127 (9)0.0006 (7)0.0005 (7)0.0044 (7)
C1120.0163 (10)0.0137 (9)0.0163 (10)0.0006 (7)0.0005 (8)0.0041 (8)
C1130.0172 (11)0.0194 (10)0.0156 (10)0.0001 (8)0.0014 (8)0.0060 (8)
C1140.0175 (11)0.0263 (11)0.0217 (11)0.0007 (8)0.0008 (9)0.0092 (9)
C1150.0288 (14)0.0427 (15)0.0226 (12)0.0036 (11)0.0029 (10)0.0159 (11)
C1160.0173 (11)0.0242 (10)0.0198 (10)0.0021 (8)0.0026 (8)0.0078 (9)
C1170.0197 (11)0.0180 (10)0.0165 (10)0.0027 (8)0.0001 (8)0.0023 (8)
C1180.0211 (11)0.0224 (10)0.0199 (10)0.0068 (8)0.0011 (9)0.0061 (9)
C1190.0259 (14)0.0328 (13)0.0313 (13)0.0044 (10)0.0108 (11)0.0030 (11)
Sn20.0150 (1)0.0121 (1)0.0116 (1)0.0005 (1)0.0024 (1)0.0014 (1)
Cl20.0254 (3)0.0194 (2)0.0218 (3)0.0003 (2)0.0119 (2)0.0010 (2)
S210.0174 (3)0.0126 (2)0.0189 (2)0.0007 (2)0.0073 (2)0.0032 (2)
S220.0192 (3)0.0130 (2)0.0171 (2)0.0001 (2)0.0079 (2)0.0024 (2)
O210.0251 (8)0.0186 (7)0.0144 (7)0.0009 (6)0.0014 (6)0.0001 (6)
O220.0218 (8)0.0237 (8)0.0235 (8)0.0094 (6)0.0031 (6)0.0020 (6)
N210.0169 (9)0.0130 (8)0.0168 (8)0.0001 (6)0.0053 (7)0.0023 (7)
N220.0128 (8)0.0132 (7)0.0118 (8)0.0025 (6)0.0024 (6)0.0006 (6)
N230.0134 (8)0.0130 (7)0.0130 (8)0.0016 (6)0.0018 (6)0.0018 (6)
C210.0173 (10)0.0099 (8)0.0152 (9)0.0006 (7)0.0037 (8)0.0007 (7)
C220.0163 (10)0.0149 (9)0.0116 (9)0.0030 (7)0.0009 (8)0.0022 (7)
C230.0120 (10)0.0139 (9)0.0146 (9)0.0005 (7)0.0012 (7)0.0034 (7)
C240.0128 (10)0.0123 (8)0.0131 (9)0.0008 (7)0.0004 (7)0.0029 (7)
C250.0163 (10)0.0159 (9)0.0146 (9)0.0017 (7)0.0036 (8)0.0013 (8)
C260.0132 (10)0.0150 (9)0.0207 (10)0.0027 (7)0.0012 (8)0.0041 (8)
C270.0156 (10)0.0156 (9)0.0142 (9)0.0038 (7)0.0043 (8)0.0003 (8)
C280.0133 (10)0.0138 (9)0.0153 (9)0.0007 (7)0.0031 (8)0.0021 (7)
C290.0198 (11)0.0134 (9)0.0117 (9)0.0024 (7)0.0049 (8)0.0017 (7)
C2100.0147 (10)0.0147 (9)0.0128 (9)0.0018 (7)0.0038 (8)0.0013 (7)
C2110.0124 (9)0.0152 (9)0.0111 (9)0.0005 (7)0.0002 (7)0.0028 (7)
C2120.0188 (11)0.0129 (9)0.0155 (9)0.0006 (7)0.0029 (8)0.0029 (8)
C2130.0202 (11)0.0172 (10)0.0194 (10)0.0022 (8)0.0011 (9)0.0052 (8)
C2140.0226 (12)0.0247 (11)0.0217 (11)0.0039 (9)0.0020 (9)0.0070 (9)
C2150.0341 (15)0.0308 (13)0.0306 (13)0.0051 (10)0.0002 (11)0.0151 (11)
C2160.0281 (13)0.0297 (12)0.0146 (10)0.0073 (9)0.0034 (9)0.0031 (9)
C2170.0219 (12)0.0224 (11)0.0245 (11)0.0020 (8)0.0058 (9)0.0053 (9)
C2180.0189 (11)0.0205 (10)0.0220 (11)0.0007 (8)0.0010 (9)0.0023 (9)
C2190.0221 (13)0.0385 (14)0.0313 (14)0.0014 (10)0.0039 (11)0.0009 (12)
Geometric parameters (Å, º) top
Sn1—Cl12.4976 (5)C113—H1131.00 (3)
Sn1—S112.4690 (5)C113—H113'0.97 (2)
Sn1—S122.7088 (5)C114—H1141.01 (3)
Sn1—C1122.135 (2)C114—H114'0.96 (3)
Sn1—C1162.137 (2)C115—H115'0.99 (3)
Sn2—S212.7315 (5)C115—H115"0.92 (3)
Sn2—S222.4720 (5)C115—H1150.99 (3)
Sn2—Cl22.4886 (6)C116—H116'0.98 (3)
Sn2—C2162.150 (3)C116—H1160.96 (3)
Sn2—C2122.129 (2)C117—H1171.00 (3)
S11—C1111.744 (2)C117—H117'1.02 (3)
S12—C1111.708 (2)C118—H118'0.97 (3)
S21—C2111.704 (2)C118—H1181.03 (3)
S22—C2111.748 (2)C119—H119"0.99 (3)
O11—N111.230 (2)C119—H1191.00 (3)
O12—N111.231 (2)C119—H119'1.01 (3)
O21—N211.232 (2)C21—C221.382 (3)
O22—N211.235 (2)C21—C261.384 (3)
N11—C111.451 (3)C22—C231.380 (3)
N12—C141.383 (2)C23—C241.411 (3)
N12—C171.465 (3)C24—C251.410 (3)
N12—C1101.462 (2)C25—C261.377 (3)
N13—C181.478 (3)C27—C281.512 (3)
N13—C1111.329 (3)C29—C2101.521 (3)
N13—C191.472 (3)C22—H220.91 (2)
N21—C211.450 (3)C23—H230.93 (2)
N22—C271.465 (3)C25—H250.92 (2)
N22—C241.391 (2)C26—H260.91 (2)
N22—C2101.465 (3)C27—H27'0.92 (2)
N23—C291.459 (3)C27—H271.03 (2)
N23—C281.465 (3)C28—H280.98 (2)
N23—C2111.323 (3)C28—H28'0.95 (2)
C11—C161.388 (3)C29—H290.91 (2)
C11—C121.383 (3)C29—H29'1.00 (2)
C12—C131.383 (3)C212—C2131.518 (3)
C13—C141.408 (3)C213—C2141.530 (3)
C14—C151.411 (3)C214—C2151.520 (4)
C15—C161.378 (3)C216—C2171.522 (3)
C17—C181.518 (3)C217—C2181.515 (3)
C19—C1101.520 (3)C218—C2191.519 (4)
C112—C1131.523 (3)C210—H210'0.97 (2)
C12—H120.91 (3)C210—H2100.96 (2)
C113—C1141.531 (3)C212—H212'0.96 (3)
C13—H130.92 (2)C212—H2120.92 (3)
C114—C1151.513 (3)C213—H213'0.97 (3)
C15—H150.92 (2)C213—H2130.99 (3)
C116—C1171.527 (3)C214—H214'0.99 (3)
C16—H161.00 (2)C214—H2140.97 (3)
C17—H17'0.94 (2)C215—H215'0.95 (3)
C117—C1181.521 (3)C215—H215"1.00 (3)
C17—H170.98 (2)C215—H2151.00 (3)
C118—C1191.516 (4)C216—H216'1.00 (3)
C18—H180.97 (2)C216—H2160.97 (3)
C18—H18'0.92 (2)C217—H217'0.96 (3)
C19—H190.95 (2)C217—H2171.01 (3)
C19—H19'0.98 (2)C218—H218'0.95 (3)
C110—H110'0.98 (2)C218—H2180.96 (3)
C110—H1100.93 (2)C219—H219'0.98 (3)
C112—H112'0.97 (2)C219—H219"0.98 (3)
C112—H1120.96 (2)C219—H2190.97 (3)
Sn1···C1194.095 (3)C118···H272.87 (2)
Sn1···H1183.05 (3)C119···H1162.76 (3)
Sn1···H1193.65 (3)C210···H252.53 (2)
Sn2···H218'2.96 (3)C212···H215"2.78 (3)
Cl1···C1123.441 (2)C213···H113xiv3.04 (2)
Cl1···C1163.403 (2)C214···H1193.08 (3)
Cl1···S113.4075 (7)C215···H26x3.10 (2)
Cl1···C27i3.573 (2)C215···H2122.87 (3)
Cl2···S223.3959 (7)C219···H213xiii2.96 (3)
Cl2···C2163.465 (3)H110'···H172.23 (3)
Cl2···C212ii3.614 (2)H110'···O22ix2.55 (2)
Cl2···C2123.479 (2)H110'···C23x3.05 (2)
Cl1···H23i2.86 (2)H112'···Cl1i3.14 (2)
Cl1···H116'3.07 (3)H112'···H117'i2.54 (3)
Cl1···H27'i2.77 (2)H112'···H1142.52 (3)
Cl1···H113'3.09 (2)H113'···Cl13.09 (2)
Cl1···H112'i3.14 (2)H113'···H117'i2.51 (4)
Cl2···H212ii3.03 (3)H114'···H119'xiii2.46 (4)
Cl2···H13ii2.92 (2)H115'···O11xii2.54 (3)
Cl2···H17'ii2.96 (2)H115"···O12iv2.72 (3)
S11···S122.9441 (7)H115"···C1122.86 (3)
S11···Cl13.4075 (7)H115"···H1122.41 (4)
S11···C110iii3.566 (2)H117'···H113'i2.51 (4)
S12···C1123.570 (2)H117'···C113i3.02 (3)
S12···S112.9441 (7)H117'···H112'i2.54 (3)
S12···S213.6057 (7)H118'···H272.36 (4)
S12···C1163.654 (2)H118'···H119"ix2.46 (4)
S21···C2123.495 (2)H118'···H117ix2.55 (4)
S21···S222.9529 (7)H119'···H114'xiv2.46 (4)
S21···S123.6057 (7)H119"···H1172.60 (4)
S21···C2163.663 (2)H119"···H118'ix2.46 (4)
S21···C2173.516 (2)H12···C115iv3.03 (3)
S21···O12iv3.5032 (16)H12···O122.44 (3)
S22···Cl23.3959 (7)H210'···C252.99 (2)
S22···S212.9529 (7)H210'···C114xiv3.08 (2)
S11···H192.49 (2)H210'···H16xi2.57 (3)
S11···H110iii3.03 (2)H13···C172.59 (2)
S12···H212'3.00 (3)H13···Cl2ii2.92 (2)
S12···H218'3.17 (3)H13···H17'2.04 (3)
S12···H1193.06 (3)H212'···H18'2.48 (3)
S12···H18'2.52 (2)H212'···H218'2.57 (4)
S21···H213'3.13 (3)H212'···S123.00 (3)
S21···H217'2.95 (2)H212'···H2142.51 (3)
S21···H28'2.53 (2)H213'···S213.13 (3)
S21···H1123.14 (2)H15···C1102.62 (2)
S21···H218'3.16 (3)H15···H1102.03 (3)
S22···H29'v3.16 (2)H214'···H113xiv2.56 (4)
S22···H292.55 (2)H16···O112.43 (2)
O11···C210vi3.197 (2)H16···H210'vi2.57 (3)
O11···C29vi3.327 (2)H215'···H26x2.48 (4)
O11···C29iv3.342 (2)H215'···O22x2.70 (3)
O12···N11vii2.939 (2)H215'···C26x3.06 (3)
O12···C115iv3.280 (3)H17···C22x3.09 (2)
O12···C211iv3.295 (2)H17···O21ix2.59 (2)
O12···O12vii3.029 (2)H17···C23x3.00 (2)
O12···C11vii3.146 (2)H17···C24x3.09 (2)
O12···S21iv3.5032 (16)H17···H110'2.23 (3)
O12···N23iv3.183 (2)H17'···H132.04 (3)
O12···C28iv3.161 (2)H17'···C132.59 (2)
O21···O21viii3.130 (2)H17'···Cl2ii2.96 (2)
O21···C21viii3.081 (2)H215"···H2122.44 (4)
O21···C22viii3.402 (3)H215"···C2122.78 (3)
O21···N21viii2.978 (2)H18···C133.08 (2)
O22···C110ix3.371 (2)H18···C143.05 (2)
O22···C111ix3.411 (2)H18'···H212'2.48 (3)
O11···H210vi2.77 (2)H18'···S122.52 (2)
O11···H162.43 (2)H19···S112.49 (2)
O11···H29'iv2.83 (2)H19···O22vi2.66 (2)
O11···H29vi2.69 (2)H19'···C142.96 (2)
O11···H115'x2.54 (3)H19'···H26vi2.57 (3)
O12···H122.44 (3)H217'···C12iv2.98 (2)
O12···H28iv2.71 (2)H217'···S212.95 (2)
O12···H115"iv2.72 (3)H217'···H219"2.50 (4)
O21···H222.46 (2)H218'···S213.16 (3)
O21···H214ix2.86 (3)H218'···H212'2.57 (4)
O21···H17ix2.59 (2)H218'···S123.17 (3)
O22···H19xi2.66 (2)H218'···Sn22.96 (3)
O22···H215'xii2.70 (3)H219'···H215xiii2.46 (4)
O22···H110'ix2.55 (2)H22···O212.46 (2)
O22···H262.43 (2)H219"···H1152.54 (4)
N11···O12vii2.939 (2)H219"···H217'2.50 (4)
N12···N132.861 (2)H23···Cl1i2.86 (2)
N12···C23x3.227 (3)H23···C272.53 (2)
N12···C24x3.379 (3)H23···H27'2.02 (3)
N13···N122.861 (2)H25···H2102.04 (3)
N21···O21viii2.978 (2)H25···C16xi3.04 (2)
N22···N232.860 (2)H25···C2102.53 (2)
N23···N222.860 (2)H26···O222.43 (2)
N23···O12iv3.183 (2)H26···H215'xii2.48 (4)
C11···O12vii3.146 (2)H26···H19'xi2.57 (3)
C12···C217iv3.562 (3)H26···C215xii3.10 (2)
C13···C183.509 (3)H27···H118'2.36 (4)
C17···C24x3.379 (3)H27···C233.03 (2)
C17···C23x3.487 (3)H27···C1182.87 (2)
C18···C133.509 (3)H27'···H232.02 (3)
C21···O21viii3.081 (2)H27'···C232.55 (2)
C21···C116ix3.546 (3)H27'···Cl1i2.77 (2)
C22···O21viii3.402 (3)H28···C16xii3.08 (2)
C23···N12xii3.227 (3)H28···C11xii3.09 (2)
C23···C17xii3.487 (3)H28···C12xii3.06 (2)
C23···C110xii3.545 (3)H28···C13xii3.05 (2)
C24···C17xii3.379 (3)H28···C14xii3.09 (2)
C24···N12xii3.379 (3)H28···C15xii3.06 (2)
C27···Cl1i3.573 (2)H28···O12iv2.71 (2)
C28···O12iv3.161 (2)H28···H29'2.37 (3)
C29···O11iv3.342 (2)H28'···S212.53 (2)
C29···O11xi3.327 (2)H29···C29v2.97 (2)
C110···S11iii3.566 (2)H29···O11xi2.69 (2)
C110···O22ix3.371 (2)H29···H29v2.39 (3)
C110···C23x3.545 (3)H29···S222.55 (2)
C11···H28x3.09 (2)H29'···H282.37 (3)
C111···O22ix3.411 (2)H29'···S22v3.16 (2)
C12···H28x3.06 (2)H29'···O11iv2.83 (2)
C112···S123.570 (2)H110···H152.03 (3)
C112···Cl13.441 (2)H110···S11iii3.03 (2)
C12···H217'iv2.98 (2)H110···C152.57 (2)
C13···H17'2.59 (2)H112···H115"2.41 (4)
C13···H183.08 (2)H112···C1152.92 (2)
C13···H28x3.05 (2)H112···S213.14 (2)
C14···H28x3.09 (2)H113···H1152.53 (4)
C14···H183.05 (2)H113···H214'xiii2.56 (4)
C14···H19'2.96 (2)H113···C213xiii3.04 (2)
C15···H28x3.06 (2)H113···H213xiii2.58 (3)
C15···H1102.57 (2)H114···H112'2.52 (3)
C115···O12iv3.280 (3)H115···H219"2.54 (4)
C116···S123.654 (2)H115···H1132.53 (4)
C16···H25vi3.04 (2)H116···H1192.30 (4)
C116···C21ix3.546 (3)H116···C21ix2.80 (3)
C16···H28x3.08 (2)H116···C1192.76 (3)
C116···Cl13.403 (2)H116···C22ix2.78 (3)
C17···H132.59 (2)H117···H118'ix2.55 (4)
C119···Sn14.095 (3)H117···H119"2.60 (4)
C21···H116ix2.80 (3)H118···C1122.97 (3)
C22···H116ix2.78 (3)H118···Sn13.05 (3)
C22···H17xii3.09 (2)H119···C1162.84 (3)
C23···H27'2.55 (2)H119···S123.06 (3)
C23···H17xii3.00 (2)H119···H2142.54 (4)
C23···H110'xii3.05 (2)H119···C2143.08 (3)
C23···H273.03 (2)H119···H1162.30 (4)
C24···H17xii3.09 (2)H119···Sn13.65 (3)
C25···H2102.58 (2)H210···O11xi2.77 (2)
C25···H210'2.99 (2)H210···C252.58 (2)
C26···H215'xii3.06 (3)H210···H252.04 (3)
C27···H232.53 (2)H212···C2152.87 (3)
C29···H29v2.97 (2)H212···H215"2.44 (4)
C210···O11xi3.197 (2)H212···Cl2ii3.03 (3)
C110···H152.62 (2)H212···H216ii2.58 (4)
C211···O12iv3.295 (2)H213···C219xiv2.96 (3)
C112···H115"2.86 (3)H213···H113xiv2.58 (3)
C112···H1182.97 (3)H213···H2152.52 (4)
C212···Cl23.479 (2)H214···H212'2.51 (3)
C212···S213.495 (2)H214···H1192.54 (4)
C212···Cl2ii3.614 (2)H214···O21ix2.86 (3)
C113···H117'i3.02 (3)H215···H219'xiv2.46 (4)
C114···H210'xiii3.08 (2)H215···H2132.52 (4)
C115···H1122.92 (2)H216···H2182.53 (4)
C115···H12iv3.03 (3)H216···H212ii2.58 (4)
C216···S213.663 (2)H218···H2162.53 (4)
C216···Cl23.465 (3)H218···H219iv2.45 (4)
C116···H1192.84 (3)H219···H218iv2.45 (4)
C217···C12iv3.562 (3)
Cl1—Sn1—S1186.64 (2)H116'—C116—H116112 (2)
Cl1—Sn1—S12155.67 (2)C117—C116—H116110.1 (17)
Cl1—Sn1—C11295.63 (5)Sn1—C116—H116'104.4 (17)
Cl1—Sn1—C11694.16 (6)Sn1—C116—H116105.8 (16)
S11—Sn1—S1269.13 (2)C117—C116—H116'110.8 (15)
S11—Sn1—C112118.58 (5)H117'—C117—H117107 (2)
S11—Sn1—C116112.77 (6)C116—C117—H117107.9 (16)
S12—Sn1—C11294.20 (6)C118—C117—H117'108.2 (15)
S12—Sn1—C11697.16 (6)C116—C117—H117'110.9 (16)
C112—Sn1—C116128.12 (8)C118—C117—H117108.5 (16)
S21—Sn2—C21291.07 (6)C119—C118—H118'110.3 (17)
S21—Sn2—C21696.53 (7)C119—C118—H118109.7 (15)
S22—Sn2—C212117.11 (6)C117—C118—H118111.2 (15)
S22—Sn2—C216113.24 (7)C117—C118—H118'107.6 (15)
C212—Sn2—C216128.35 (9)H118'—C118—H118103 (2)
Cl2—Sn2—C21297.45 (5)H119"—C119—H119104 (2)
Cl2—Sn2—C21696.37 (7)C118—C119—H119'108.5 (16)
S21—Sn2—S2268.94 (2)C118—C119—H119"112.3 (17)
Cl2—Sn2—S2286.40 (2)C118—C119—H119112.7 (17)
Cl2—Sn2—S21155.11 (2)H119'—C119—H119"103 (2)
Sn1—S11—C11190.35 (7)H119'—C119—H119116 (2)
Sn1—S12—C11183.38 (7)N21—C21—C22119.72 (17)
Sn2—S21—C21182.97 (7)N21—C21—C26119.28 (17)
Sn2—S22—C21190.38 (7)C22—C21—C26120.97 (18)
O11—N11—O12123.13 (17)C21—C22—C23119.70 (18)
O11—N11—C11118.62 (17)C22—C23—C24121.06 (18)
O12—N11—C11118.25 (17)N22—C24—C23121.35 (17)
C17—N12—C110108.19 (15)N22—C24—C25121.20 (17)
C14—N12—C110120.06 (16)C23—C24—C25117.44 (17)
C14—N12—C17120.86 (16)C24—C25—C26121.35 (18)
C18—N13—C111122.15 (16)C21—C26—C25119.47 (18)
C18—N13—C19114.83 (16)N22—C27—C28112.59 (16)
C19—N13—C111122.73 (16)N23—C28—C27109.89 (16)
O21—N21—O22122.91 (17)N23—C29—C210110.66 (15)
O22—N21—C21118.62 (17)C21—C22—H22121.4 (14)
O21—N21—C21118.47 (17)C23—C22—H22118.9 (14)
C24—N22—C27117.06 (16)C22—C23—H23117.5 (14)
C27—N22—C210113.66 (15)C24—C23—H23121.4 (14)
C24—N22—C210117.12 (16)C24—C25—H25120.8 (13)
C28—N23—C211124.27 (17)C26—C25—H25117.8 (13)
C29—N23—C211125.09 (16)C25—C26—H26120.5 (14)
C28—N23—C29110.55 (15)C21—C26—H26120.0 (14)
N11—C11—C12119.79 (17)N22—C27—H27'109.1 (14)
N11—C11—C16119.47 (17)C28—C27—H27107.8 (13)
C12—C11—C16120.73 (18)N22—C27—H27111.2 (12)
C11—C12—C13119.73 (18)H27—C27—H27'109.2 (19)
C12—C13—C14121.12 (18)C28—C27—H27'106.9 (13)
N12—C14—C15120.49 (17)N23—C28—H28'106.2 (13)
N12—C14—C13122.05 (17)N23—C28—H28106.9 (12)
C13—C14—C15117.41 (17)C27—C28—H28109.8 (13)
C14—C15—C16121.40 (18)C27—C28—H28'110.2 (13)
C11—C16—C15119.50 (18)H28—C28—H28'113.6 (17)
N12—C17—C18111.47 (16)C210—C29—H29'110.8 (12)
N13—C18—C17110.87 (16)H29—C29—H29'106.6 (17)
N13—C19—C110110.46 (16)C210—C29—H29109.3 (13)
N12—C110—C19110.47 (16)N23—C29—H29111.1 (14)
S11—C111—S12117.03 (11)N23—C29—H29'108.4 (12)
S11—C111—N13119.80 (15)N22—C210—C29112.31 (16)
S12—C111—N13123.16 (15)S21—C211—N23123.09 (15)
Sn1—C112—C113112.70 (13)S22—C211—N23119.31 (15)
C11—C12—H12119.6 (17)S21—C211—S22117.61 (11)
C13—C12—H12120.6 (18)Sn2—C212—C213114.58 (14)
C112—C113—C114112.98 (17)C212—C213—C214112.00 (18)
C14—C13—H13119.8 (14)C213—C214—C215113.69 (19)
C12—C13—H13119.1 (14)Sn2—C216—C217114.72 (15)
C113—C114—C115113.56 (19)C216—C217—C218113.75 (18)
C14—C15—H15119.9 (14)C217—C218—C219113.35 (19)
C16—C15—H15118.7 (14)N22—C210—H210'110.2 (13)
C11—C16—H16119.1 (13)N22—C210—H210109.7 (12)
Sn1—C116—C117113.36 (14)C29—C210—H210'109.5 (13)
C15—C16—H16121.4 (13)C29—C210—H210105.1 (11)
H17—C17—H17'110.3 (17)H210'—C210—H210109.9 (17)
C116—C117—C118113.63 (18)Sn2—C212—H212'103.7 (15)
C18—C17—H17'110.9 (14)Sn2—C212—H212104.9 (17)
N12—C17—H17108.6 (12)C213—C212—H212'110.6 (15)
N12—C17—H17'109.7 (14)C213—C212—H212111.0 (18)
C18—C17—H17105.9 (13)H212'—C212—H212112 (2)
N13—C18—H18107.3 (13)C212—C213—H213'108.4 (17)
N13—C18—H18'106.1 (14)C212—C213—H213107.4 (14)
C117—C118—C119114.73 (19)C214—C213—H213'108.2 (15)
C17—C18—H18110.5 (14)C214—C213—H213110.1 (14)
C17—C18—H18'112.8 (13)H213'—C213—H213111 (2)
H18—C18—H18'109 (2)C213—C214—H214'108.6 (15)
N13—C19—H19'108.3 (14)C213—C214—H214109.5 (15)
C110—C19—H19110.0 (14)C215—C214—H214'109.8 (16)
C110—C19—H19'109.3 (14)C215—C214—H214108.0 (15)
N13—C19—H19109.5 (14)H214'—C214—H214107 (2)
H19—C19—H19'109.3 (18)C214—C215—H215'111.4 (17)
H110'—C110—H110109.9 (18)C214—C215—H215"110.0 (18)
N12—C110—H110'107.3 (12)C214—C215—H215107.5 (17)
N12—C110—H110112.2 (13)H215'—C215—H215"108 (2)
C19—C110—H110108.3 (13)H215'—C215—H215111 (2)
C19—C110—H110'108.6 (13)H215"—C215—H215110 (2)
C113—C112—H112'109.9 (12)Sn2—C216—H216'105.1 (16)
C113—C112—H112112.6 (12)Sn2—C216—H216104.3 (16)
Sn1—C112—H112104.5 (13)C217—C216—H216'114.2 (17)
Sn1—C112—H112'104.4 (13)C217—C216—H216109.3 (17)
H112'—C112—H112112.3 (18)H216'—C216—H216109 (2)
C112—C113—H113108.0 (11)C216—C217—H217'109.3 (12)
C112—C113—H113'110.6 (12)C216—C217—H217107.0 (16)
H113'—C113—H113108.2 (19)C218—C217—H217'109.0 (14)
C114—C113—H113'108.9 (13)C218—C217—H217110.7 (16)
C114—C113—H113108.0 (14)H217'—C217—H217107 (2)
C113—C114—H114'109.3 (16)C217—C218—H218'109.0 (16)
C113—C114—H114108.6 (15)C217—C218—H218107.5 (16)
C115—C114—H114'110.9 (15)C219—C218—H218'111.0 (16)
C115—C114—H114106.8 (15)C219—C218—H218112.5 (17)
H114'—C114—H114108 (2)H218'—C218—H218103 (2)
C114—C115—H115109.9 (17)C218—C219—H219'111.5 (17)
H115'—C115—H115"109 (3)C218—C219—H219"106.3 (17)
C114—C115—H115"111.0 (19)C218—C219—H219111.8 (18)
C114—C115—H115'111.9 (17)H219'—C219—H219"111 (2)
H115"—C115—H115111 (3)H219'—C219—H219109 (2)
H115'—C115—H115104 (2)H219"—C219—H219107 (3)
Cl1—Sn1—S11—C111179.82 (7)C19—N13—C111—S110.4 (3)
S12—Sn1—S11—C1112.04 (7)C19—N13—C111—S12179.47 (15)
C112—Sn1—S11—C11185.24 (9)C111—N13—C18—C17138.50 (18)
C116—Sn1—S11—C11187.08 (9)C18—N13—C19—C11049.1 (2)
Cl1—Sn1—S12—C1117.48 (8)C111—N13—C19—C110136.92 (19)
S11—Sn1—S12—C1112.10 (7)C18—N13—C111—S11173.21 (14)
C112—Sn1—S12—C111121.13 (9)O21—N21—C21—C221.6 (3)
C116—Sn1—S12—C111109.59 (9)O21—N21—C21—C26179.68 (18)
Cl1—Sn1—C112—C11362.47 (14)O22—N21—C21—C22178.46 (18)
S11—Sn1—C112—C11326.77 (16)O22—N21—C21—C260.3 (3)
S12—Sn1—C112—C11395.25 (13)C27—N22—C24—C2319.7 (3)
C116—Sn1—C112—C113162.25 (13)C27—N22—C24—C25161.47 (18)
Cl1—Sn1—C116—C11794.79 (14)C210—N22—C24—C23159.84 (18)
S11—Sn1—C116—C117177.11 (12)C210—N22—C24—C2521.3 (3)
S12—Sn1—C116—C117106.79 (14)C24—N22—C27—C28169.51 (16)
C112—Sn1—C116—C1175.69 (19)C210—N22—C27—C2849.0 (2)
C212—Sn2—S22—C21181.79 (9)C24—N22—C210—C29170.72 (16)
C216—Sn2—S22—C21186.28 (10)C27—N22—C210—C2947.8 (2)
Cl2—Sn2—C212—C21389.07 (14)C28—N23—C211—S22179.09 (14)
S21—Sn2—C212—C21367.48 (14)C29—N23—C28—C2760.1 (2)
S22—Sn2—C212—C2130.69 (16)C211—N23—C28—C27123.1 (2)
C216—Sn2—C212—C213166.68 (14)C28—N23—C29—C21059.5 (2)
Cl2—Sn2—C216—C217171.52 (16)C211—N23—C29—C210123.8 (2)
S21—Sn2—C216—C21729.82 (17)C28—N23—C211—S211.5 (3)
S22—Sn2—C216—C21799.67 (17)C29—N23—C211—S21177.80 (14)
Cl2—Sn2—S21—C21110.29 (8)C29—N23—C211—S222.8 (3)
S22—Sn2—S21—C2111.92 (7)N11—C11—C12—C13176.51 (18)
C212—Sn2—S21—C211120.68 (9)N11—C11—C16—C15177.11 (18)
C216—Sn2—S21—C211110.51 (10)C12—C11—C16—C152.4 (3)
Cl2—Sn2—S22—C211178.33 (7)C16—C11—C12—C133.0 (3)
S21—Sn2—S22—C2111.85 (6)C11—C12—C13—C140.5 (3)
C212—Sn2—C216—C21766.8 (2)C12—C13—C14—C152.5 (3)
Sn1—S11—C111—S123.39 (11)C12—C13—C14—N12179.80 (18)
Sn1—S11—C111—N13177.46 (15)N12—C14—C15—C16179.55 (18)
Sn1—S12—C111—N13177.77 (17)C13—C14—C15—C163.1 (3)
Sn1—S12—C111—S113.11 (10)C14—C15—C16—C110.7 (3)
Sn2—S21—C211—N23177.70 (17)N12—C17—C18—N1353.5 (2)
Sn2—S21—C211—S222.85 (10)N13—C19—C110—N1256.7 (2)
Sn2—S22—C211—S213.13 (11)N21—C21—C22—C23177.97 (18)
Sn2—S22—C211—N23177.40 (15)C26—C21—C22—C230.1 (3)
O11—N11—C11—C12171.66 (18)N21—C21—C26—C25178.55 (18)
O12—N11—C11—C16172.65 (18)C22—C21—C26—C250.4 (3)
O11—N11—C11—C167.9 (3)C21—C22—C23—C240.9 (3)
O12—N11—C11—C127.8 (3)C22—C23—C24—N22177.86 (18)
C17—N12—C14—C1313.9 (3)C22—C23—C24—C251.1 (3)
C110—N12—C17—C1861.9 (2)N22—C24—C25—C26178.43 (18)
C14—N12—C110—C1981.2 (2)C23—C24—C25—C260.5 (3)
C17—N12—C110—C1963.29 (19)C24—C25—C26—C210.3 (3)
C110—N12—C14—C1528.8 (3)N22—C27—C28—N2354.5 (2)
C17—N12—C14—C15168.81 (17)N23—C29—C210—N2252.8 (2)
C110—N12—C14—C13153.92 (18)Sn2—C212—C213—C214166.82 (15)
C14—N12—C17—C1882.3 (2)C212—C213—C214—C21560.2 (3)
C19—N13—C18—C1747.4 (2)Sn2—C216—C217—C21859.5 (2)
C18—N13—C111—S125.9 (3)C216—C217—C218—C219175.8 (2)
Symmetry codes: (i) x, y+1, z; (ii) x+1, y, z+1; (iii) x, y, z; (iv) x, y, z+1; (v) x+1, y+1, z+1; (vi) x1, y1, z; (vii) x, y1, z+1; (viii) x+1, y+2, z; (ix) x+1, y+1, z; (x) x, y1, z; (xi) x+1, y+1, z; (xii) x, y+1, z; (xiii) x1, y, z; (xiv) x+1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C110—H110···O22ix0.98 (2)2.55 (2)3.371 (2)140.8 (16)
C115—H115···O11xii0.99 (3)2.54 (3)3.491 (3)161 (2)
C17—H17···O21ix0.98 (2)2.59 (2)3.458 (3)146.7 (16)
C18—H18···S120.92 (2)2.52 (2)3.058 (2)118.0 (16)
C19—H19···S110.95 (2)2.49 (2)3.004 (2)113.8 (17)
C27—H27···Cl1i0.92 (2)2.77 (2)3.573 (2)146.4 (18)
C28—H28···S210.95 (2)2.53 (2)3.085 (2)117.5 (16)
C29—H29···S220.91 (2)2.55 (2)3.036 (2)114.1 (16)
Symmetry codes: (i) x, y+1, z; (ix) x+1, y+1, z; (xii) x, y+1, z.
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds