Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806010889/sj2026sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806010889/sj2026Isup2.hkl |
CCDC reference: 605189
Data collection: SMART (Bruker 1998); cell refinement: SAINT (Bruker 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker 1998); software used to prepare material for publication: SHELXTL.
[Sn4(C4H9)8(C8H5Cl2O3)4O2] | Z = 1 |
Mr = 1843.74 | F(000) = 924 |
Triclinic, P1 | Dx = 1.581 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 12.020 (3) Å | Cell parameters from 3064 reflections |
b = 12.488 (3) Å | θ = 2.3–23.2° |
c = 14.562 (3) Å | µ = 1.61 mm−1 |
α = 88.964 (3)° | T = 298 K |
β = 84.890 (3)° | Block, colorless |
γ = 62.852 (3)° | 0.52 × 0.41 × 0.39 mm |
V = 1936.5 (7) Å3 |
Bruker CCD area detector diffractometer | 6751 independent reflections |
Radiation source: fine-focus sealed tube | 4330 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.029 |
φ and ω scans | θmax = 25.0°, θmin = 2.0° |
Absorption correction: multi-scan (SADABS; Bruker, 1998) | h = −14→14 |
Tmin = 0.456, Tmax = 0.534 | k = −14→14 |
10200 measured reflections | l = −14→17 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.049 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.134 | H-atom parameters constrained |
S = 1.00 | w = 1/[σ2(Fo2) + (0.050P)2 + 5.3146P] where P = (Fo2 + 2Fc2)/3 |
6751 reflections | (Δ/σ)max < 0.001 |
426 parameters | Δρmax = 1.79 e Å−3 |
390 restraints | Δρmin = −0.68 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
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 | Occ. (<1) | |
Sn1 | 0.23135 (4) | 0.48594 (5) | 0.04762 (4) | 0.05333 (18) | |
Sn2 | 0.58170 (4) | 0.36454 (4) | 0.04346 (3) | 0.04776 (17) | |
Cl1 | −0.0199 (3) | 1.1169 (2) | −0.2395 (2) | 0.1160 (10) | |
Cl2 | −0.0334 (5) | 0.8148 (4) | −0.4904 (2) | 0.1704 (17) | |
Cl3 | 0.7255 (3) | 0.0064 (4) | 0.1359 (2) | 0.1427 (13) | |
Cl4 | 0.610 (4) | 0.092 (2) | 0.4799 (15) | 0.179 (7) | 0.37 (3) |
Cl4' | 0.528 (2) | 0.1318 (15) | 0.4933 (7) | 0.150 (5) | 0.63 (3) |
O1 | 0.1172 (5) | 0.6902 (5) | 0.0409 (4) | 0.0797 (17) | |
O2 | 0.2143 (5) | 0.7357 (6) | −0.0752 (4) | 0.0797 (17) | |
O3 | −0.0027 (5) | 0.9361 (5) | −0.1099 (4) | 0.0763 (16) | |
O4 | 0.3547 (4) | 0.2984 (4) | 0.0677 (3) | 0.0582 (13) | |
O5 | 0.1729 (5) | 0.2943 (5) | 0.0796 (4) | 0.0735 (16) | |
O6 | 0.4762 (5) | 0.0599 (5) | 0.1085 (4) | 0.0708 (15) | |
O7 | 0.3931 (4) | 0.4969 (4) | 0.0116 (3) | 0.0510 (12) | |
C1 | 0.1171 (8) | 0.7567 (7) | −0.0263 (6) | 0.064 (2) | |
C2 | −0.0050 (7) | 0.8606 (7) | −0.0354 (6) | 0.064 (2) | |
H2A | −0.0660 | 0.8321 | −0.0450 | 0.077* | |
H2B | −0.0324 | 0.9080 | 0.0217 | 0.077* | |
C3 | −0.0067 (7) | 0.9005 (7) | −0.1983 (6) | 0.064 (2) | |
C4 | −0.0142 (9) | 0.9796 (8) | −0.2673 (7) | 0.079 (3) | |
C5 | −0.0222 (10) | 0.9535 (9) | −0.3569 (7) | 0.096 (3) | |
H5 | −0.0272 | 1.0077 | −0.4030 | 0.116* | |
C6 | −0.0228 (11) | 0.8483 (11) | −0.3782 (7) | 0.103 (3) | |
C7 | −0.0146 (9) | 0.7686 (8) | −0.3115 (7) | 0.084 (3) | |
H7 | −0.0157 | 0.6971 | −0.3266 | 0.101* | |
C8 | −0.0047 (8) | 0.7925 (8) | −0.2219 (6) | 0.075 (2) | |
H8 | 0.0034 | 0.7362 | −0.1769 | 0.090* | |
C9 | 0.2868 (7) | 0.2435 (7) | 0.0771 (5) | 0.0569 (19) | |
C10 | 0.3531 (8) | 0.1076 (7) | 0.0791 (6) | 0.071 (2) | |
H10A | 0.3033 | 0.0807 | 0.1202 | 0.085* | |
H10B | 0.3583 | 0.0755 | 0.0178 | 0.085* | |
C11 | 0.4852 (9) | 0.0768 (7) | 0.1982 (6) | 0.066 (2) | |
C12 | 0.6028 (11) | 0.0512 (9) | 0.2206 (7) | 0.086 (3) | |
C13 | 0.6233 (13) | 0.0642 (11) | 0.3123 (10) | 0.120 (4) | |
H13 | 0.7028 | 0.0473 | 0.3282 | 0.144* | |
C14 | 0.5253 (15) | 0.1015 (12) | 0.3760 (9) | 0.112 (3) | |
C15 | 0.4105 (14) | 0.1269 (10) | 0.3574 (8) | 0.118 (4) | |
H15 | 0.3453 | 0.1525 | 0.4042 | 0.142* | |
C16 | 0.3879 (10) | 0.1149 (8) | 0.2668 (7) | 0.089 (3) | |
H16 | 0.3074 | 0.1326 | 0.2529 | 0.107* | |
C17 | 0.1657 (8) | 0.4745 (8) | −0.0806 (6) | 0.082 (2) | |
H17A | 0.0802 | 0.4864 | −0.0678 | 0.098* | |
H17B | 0.1617 | 0.5422 | −0.1164 | 0.098* | |
C18 | 0.2332 (11) | 0.3664 (9) | −0.1400 (7) | 0.103 (3) | |
H18A | 0.2198 | 0.3019 | −0.1117 | 0.124* | |
H18B | 0.3223 | 0.3428 | −0.1421 | 0.124* | |
C19 | 0.1983 (11) | 0.3773 (10) | −0.2361 (7) | 0.104 (3) | 0.27 (4) |
H19A | 0.1617 | 0.4620 | −0.2506 | 0.125* | 0.27 (4) |
H19B | 0.1324 | 0.3530 | −0.2372 | 0.125* | 0.27 (4) |
C20 | 0.297 (5) | 0.309 (5) | −0.313 (3) | 0.117 (10) | 0.27 (4) |
H20A | 0.2603 | 0.3290 | −0.3711 | 0.175* | 0.27 (4) |
H20B | 0.3294 | 0.2244 | −0.3041 | 0.175* | 0.27 (4) |
H20C | 0.3639 | 0.3312 | −0.3141 | 0.175* | 0.27 (4) |
C19' | 0.1983 (11) | 0.3773 (10) | −0.2361 (7) | 0.104 (3) | 0.73 (4) |
H19C | 0.1074 | 0.4195 | −0.2341 | 0.125* | 0.73 (4) |
H19D | 0.2301 | 0.4277 | −0.2685 | 0.125* | 0.73 (4) |
C20' | 0.241 (3) | 0.2667 (19) | −0.2907 (14) | 0.139 (7) | 0.73 (4) |
H20D | 0.2133 | 0.2860 | −0.3513 | 0.209* | 0.73 (4) |
H20E | 0.2078 | 0.2169 | −0.2615 | 0.209* | 0.73 (4) |
H20F | 0.3314 | 0.2244 | −0.2953 | 0.209* | 0.73 (4) |
C21 | 0.1669 (8) | 0.5387 (8) | 0.1914 (6) | 0.082 (2) | |
H21A | 0.2021 | 0.5910 | 0.2081 | 0.098* | |
H21B | 0.0767 | 0.5883 | 0.1939 | 0.098* | |
C22 | 0.1888 (10) | 0.4539 (9) | 0.2642 (7) | 0.097 (3) | |
H22A | 0.2777 | 0.3983 | 0.2615 | 0.116* | |
H22B | 0.1438 | 0.4077 | 0.2554 | 0.116* | |
C23 | 0.1451 (12) | 0.5187 (11) | 0.3604 (7) | 0.121 (4) | |
H23A | 0.1801 | 0.5746 | 0.3639 | 0.145* | |
H23B | 0.0545 | 0.5656 | 0.3648 | 0.145* | |
C24 | 0.1770 (14) | 0.4452 (14) | 0.4361 (10) | 0.171 (6) | |
H24A | 0.1496 | 0.4942 | 0.4916 | 0.256* | |
H24B | 0.2665 | 0.3968 | 0.4324 | 0.256* | |
H24C | 0.1371 | 0.3939 | 0.4368 | 0.256* | |
C25 | 0.6171 (8) | 0.2302 (7) | −0.0583 (5) | 0.067 (2) | |
H25A | 0.6981 | 0.1624 | −0.0505 | 0.080* | |
H25B | 0.5540 | 0.2023 | −0.0475 | 0.080* | |
C26 | 0.6172 (10) | 0.2692 (8) | −0.1548 (6) | 0.089 (3) | |
H26A | 0.6818 | 0.2952 | −0.1664 | 0.107* | |
H26B | 0.5370 | 0.3381 | −0.1625 | 0.107* | |
C27 | 0.6395 (11) | 0.1734 (9) | −0.2252 (7) | 0.100 (3) | |
H27A | 0.5705 | 0.1529 | −0.2176 | 0.120* | |
H27B | 0.7157 | 0.1017 | −0.2140 | 0.120* | |
C28 | 0.6513 (14) | 0.2105 (11) | −0.3231 (8) | 0.152 (5) | |
H28A | 0.6662 | 0.1456 | −0.3646 | 0.228* | |
H28B | 0.7201 | 0.2299 | −0.3315 | 0.228* | |
H28C | 0.5750 | 0.2798 | −0.3355 | 0.228* | |
C29 | 0.5331 (8) | 0.3792 (8) | 0.1879 (5) | 0.0659 (19) | |
H29A | 0.4565 | 0.4537 | 0.2000 | 0.079* | |
H29B | 0.5128 | 0.3142 | 0.2045 | 0.079* | |
C30 | 0.6227 (9) | 0.3772 (10) | 0.2519 (6) | 0.088 (3) | |
H30A | 0.6476 | 0.4391 | 0.2344 | 0.105* | |
H30B | 0.6974 | 0.3002 | 0.2445 | 0.105* | |
C31 | 0.5738 (10) | 0.3967 (11) | 0.3523 (6) | 0.103 (3) | |
H31A | 0.5003 | 0.4747 | 0.3599 | 0.124* | |
H31B | 0.5469 | 0.3361 | 0.3694 | 0.124* | |
C32 | 0.6649 (13) | 0.3918 (15) | 0.4172 (9) | 0.170 (5) | |
H32A | 0.6263 | 0.4042 | 0.4793 | 0.255* | |
H32B | 0.6898 | 0.4536 | 0.4027 | 0.255* | |
H32C | 0.7375 | 0.3145 | 0.4114 | 0.255* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.0454 (3) | 0.0555 (3) | 0.0655 (4) | −0.0292 (3) | −0.0015 (2) | 0.0034 (3) |
Sn2 | 0.0495 (3) | 0.0492 (3) | 0.0503 (3) | −0.0286 (3) | 0.0012 (2) | 0.0046 (2) |
Cl1 | 0.165 (3) | 0.0790 (17) | 0.128 (2) | −0.0725 (19) | −0.040 (2) | 0.0251 (16) |
Cl2 | 0.306 (6) | 0.169 (3) | 0.082 (2) | −0.147 (4) | −0.019 (3) | 0.001 (2) |
Cl3 | 0.095 (2) | 0.221 (4) | 0.125 (3) | −0.082 (3) | −0.0239 (19) | 0.036 (3) |
Cl4 | 0.213 (16) | 0.196 (13) | 0.096 (9) | −0.060 (13) | −0.046 (11) | −0.006 (8) |
Cl4' | 0.224 (12) | 0.167 (8) | 0.073 (4) | −0.097 (8) | −0.039 (6) | 0.003 (4) |
O1 | 0.077 (4) | 0.073 (4) | 0.082 (4) | −0.030 (3) | 0.001 (3) | 0.005 (3) |
O2 | 0.055 (3) | 0.099 (5) | 0.084 (4) | −0.036 (3) | 0.003 (3) | −0.007 (4) |
O3 | 0.089 (4) | 0.061 (4) | 0.084 (4) | −0.039 (3) | −0.010 (3) | 0.004 (3) |
O4 | 0.051 (3) | 0.060 (3) | 0.076 (4) | −0.037 (3) | −0.001 (3) | 0.006 (3) |
O5 | 0.056 (3) | 0.074 (4) | 0.104 (5) | −0.043 (3) | 0.002 (3) | 0.008 (3) |
O6 | 0.076 (4) | 0.058 (3) | 0.070 (4) | −0.023 (3) | −0.008 (3) | −0.004 (3) |
O7 | 0.052 (3) | 0.057 (3) | 0.055 (3) | −0.035 (2) | 0.000 (2) | 0.012 (2) |
C1 | 0.072 (6) | 0.055 (5) | 0.054 (5) | −0.024 (5) | 0.016 (4) | −0.009 (4) |
C2 | 0.066 (5) | 0.058 (5) | 0.065 (5) | −0.025 (4) | −0.001 (4) | −0.001 (4) |
C3 | 0.059 (5) | 0.058 (5) | 0.070 (6) | −0.024 (4) | 0.004 (4) | 0.002 (4) |
C4 | 0.099 (7) | 0.065 (6) | 0.085 (7) | −0.048 (5) | −0.003 (5) | 0.005 (5) |
C5 | 0.132 (9) | 0.084 (7) | 0.078 (7) | −0.055 (7) | −0.001 (6) | 0.012 (6) |
C6 | 0.152 (10) | 0.108 (9) | 0.066 (7) | −0.075 (8) | 0.004 (6) | −0.006 (6) |
C7 | 0.114 (8) | 0.077 (6) | 0.081 (7) | −0.060 (6) | −0.008 (6) | 0.007 (5) |
C8 | 0.092 (6) | 0.067 (6) | 0.079 (7) | −0.048 (5) | −0.004 (5) | 0.008 (5) |
C9 | 0.059 (5) | 0.059 (5) | 0.062 (5) | −0.036 (4) | −0.006 (4) | 0.001 (4) |
C10 | 0.083 (6) | 0.064 (5) | 0.079 (6) | −0.044 (5) | −0.014 (5) | 0.000 (5) |
C11 | 0.088 (6) | 0.050 (5) | 0.061 (6) | −0.031 (5) | −0.013 (5) | 0.012 (4) |
C12 | 0.123 (9) | 0.088 (7) | 0.064 (6) | −0.062 (7) | −0.020 (6) | 0.013 (5) |
C13 | 0.149 (11) | 0.115 (9) | 0.132 (11) | −0.083 (9) | −0.062 (10) | 0.046 (8) |
C14 | 0.139 (6) | 0.118 (6) | 0.087 (6) | −0.064 (5) | −0.017 (5) | 0.004 (5) |
C15 | 0.170 (13) | 0.095 (8) | 0.067 (8) | −0.045 (9) | 0.011 (8) | −0.004 (6) |
C16 | 0.112 (8) | 0.075 (6) | 0.076 (7) | −0.043 (6) | 0.007 (6) | 0.005 (5) |
C17 | 0.081 (5) | 0.092 (6) | 0.080 (5) | −0.045 (5) | −0.019 (4) | −0.002 (5) |
C18 | 0.128 (6) | 0.096 (6) | 0.084 (5) | −0.046 (5) | −0.027 (5) | −0.003 (5) |
C19 | 0.118 (6) | 0.112 (6) | 0.085 (5) | −0.054 (5) | −0.015 (5) | −0.014 (5) |
C20 | 0.134 (14) | 0.116 (14) | 0.089 (13) | −0.048 (13) | −0.009 (13) | −0.010 (13) |
C19' | 0.118 (6) | 0.112 (6) | 0.085 (5) | −0.054 (5) | −0.015 (5) | −0.014 (5) |
C20' | 0.173 (13) | 0.121 (11) | 0.112 (11) | −0.056 (10) | −0.014 (10) | −0.005 (9) |
C21 | 0.081 (5) | 0.092 (6) | 0.084 (5) | −0.053 (4) | 0.020 (4) | −0.004 (5) |
C22 | 0.104 (6) | 0.104 (6) | 0.089 (6) | −0.056 (5) | 0.013 (5) | 0.005 (5) |
C23 | 0.135 (7) | 0.122 (7) | 0.079 (6) | −0.040 (6) | 0.023 (6) | −0.006 (6) |
C24 | 0.176 (11) | 0.173 (11) | 0.131 (10) | −0.053 (9) | 0.000 (9) | −0.018 (9) |
C25 | 0.084 (5) | 0.058 (4) | 0.065 (5) | −0.041 (4) | 0.011 (4) | −0.007 (4) |
C26 | 0.122 (6) | 0.074 (5) | 0.088 (6) | −0.057 (5) | −0.011 (5) | −0.009 (5) |
C27 | 0.134 (6) | 0.094 (6) | 0.076 (5) | −0.053 (5) | −0.014 (5) | −0.021 (5) |
C28 | 0.209 (12) | 0.122 (9) | 0.104 (9) | −0.054 (9) | −0.027 (9) | −0.020 (7) |
C29 | 0.077 (4) | 0.089 (5) | 0.049 (4) | −0.055 (4) | 0.004 (4) | 0.011 (4) |
C30 | 0.089 (6) | 0.129 (7) | 0.062 (5) | −0.066 (5) | −0.004 (4) | 0.001 (5) |
C31 | 0.114 (6) | 0.132 (6) | 0.061 (5) | −0.056 (5) | −0.006 (5) | −0.001 (5) |
C32 | 0.151 (10) | 0.246 (12) | 0.096 (8) | −0.074 (9) | −0.022 (8) | −0.018 (9) |
Sn1—O7 | 2.033 (4) | C17—C18 | 1.465 (12) |
Sn1—C17 | 2.122 (8) | C17—H17A | 0.9700 |
Sn1—O4 | 2.157 (5) | C17—H17B | 0.9700 |
Sn1—C21 | 2.171 (9) | C18—C19 | 1.482 (13) |
Sn1—O1 | 2.284 (6) | C18—H18A | 0.9700 |
Sn1—O5 | 2.806 (5) | C18—H18B | 0.9700 |
Sn2—O7i | 2.027 (4) | C19—C20 | 1.51 (5) |
Sn2—C29 | 2.120 (7) | C19—H19A | 0.9700 |
Sn2—C25 | 2.125 (7) | C19—H19B | 0.9700 |
Sn2—O7 | 2.197 (5) | C20—H20A | 0.9600 |
Sn2—O2i | 2.275 (5) | C20—H20B | 0.9600 |
Sn2—O4 | 3.182 (4) | C20—H20C | 0.9600 |
Cl1—C4 | 1.738 (9) | C20'—H20D | 0.9600 |
Cl2—C6 | 1.723 (10) | C20'—H20E | 0.9600 |
Cl3—C12 | 1.719 (11) | C20'—H20F | 0.9600 |
Cl4—C14 | 1.87 (3) | C21—C22 | 1.438 (12) |
Cl4'—C14 | 1.763 (15) | C21—H21A | 0.9700 |
O1—C1 | 1.272 (9) | C21—H21B | 0.9700 |
O2—C1 | 1.232 (9) | C22—C23 | 1.554 (13) |
O4—C9 | 1.281 (8) | C22—H22A | 0.9700 |
O5—C9 | 1.216 (8) | C22—H22B | 0.9700 |
O2—Sn2i | 2.275 (5) | C23—C24 | 1.387 (16) |
O3—C3 | 1.382 (10) | C23—H23A | 0.9700 |
O3—C2 | 1.431 (9) | C23—H23B | 0.9700 |
O6—C11 | 1.348 (9) | C24—H24A | 0.9600 |
O6—C10 | 1.424 (9) | C24—H24B | 0.9600 |
O7—Sn2i | 2.027 (4) | C24—H24C | 0.9600 |
C1—C2 | 1.465 (11) | C25—C26 | 1.478 (11) |
C2—H2A | 0.9700 | C25—H25A | 0.9700 |
C2—H2B | 0.9700 | C25—H25B | 0.9700 |
C3—C4 | 1.376 (11) | C26—C27 | 1.503 (11) |
C3—C8 | 1.386 (11) | C26—H26A | 0.9700 |
C4—C5 | 1.374 (13) | C26—H26B | 0.9700 |
C5—C6 | 1.358 (13) | C27—C28 | 1.505 (14) |
C5—H5 | 0.9300 | C27—H27A | 0.9700 |
C6—C7 | 1.355 (13) | C27—H27B | 0.9700 |
C7—C8 | 1.371 (12) | C28—H28A | 0.9600 |
C7—H7 | 0.9300 | C28—H28B | 0.9600 |
C8—H8 | 0.9300 | C28—H28C | 0.9600 |
C9—C10 | 1.512 (11) | C29—C30 | 1.479 (11) |
C10—H10A | 0.9700 | C29—H29A | 0.9700 |
C10—H10B | 0.9700 | C29—H29B | 0.9700 |
C11—C12 | 1.369 (12) | C30—C31 | 1.508 (12) |
C11—C16 | 1.377 (12) | C30—H30A | 0.9700 |
C12—C13 | 1.404 (14) | C30—H30B | 0.9700 |
C13—C14 | 1.337 (16) | C31—C32 | 1.490 (14) |
C13—H13 | 0.9300 | C31—H31A | 0.9700 |
C14—C15 | 1.320 (16) | C31—H31B | 0.9700 |
C15—C16 | 1.393 (14) | C32—H32A | 0.9600 |
C15—H15 | 0.9300 | C32—H32B | 0.9600 |
C16—H16 | 0.9300 | C32—H32C | 0.9600 |
O7—Sn1—C17 | 103.9 (3) | C18—C17—H17A | 107.2 |
O7—Sn1—O4 | 84.40 (17) | Sn1—C17—H17A | 107.2 |
C17—Sn1—O4 | 100.4 (3) | C18—C17—H17B | 107.2 |
O7—Sn1—C21 | 111.0 (3) | Sn1—C17—H17B | 107.2 |
C17—Sn1—C21 | 141.9 (4) | H17A—C17—H17B | 106.8 |
O4—Sn1—C21 | 97.8 (3) | C17—C18—C19 | 116.2 (9) |
O7—Sn1—O1 | 90.83 (19) | C17—C18—H18A | 108.2 |
C17—Sn1—O1 | 87.4 (3) | C19—C18—H18A | 108.2 |
O4—Sn1—O1 | 171.7 (2) | C17—C18—H18B | 108.2 |
C21—Sn1—O1 | 77.5 (3) | C19—C18—H18B | 108.2 |
O7—Sn1—O5 | 134.08 (17) | H18A—C18—H18B | 107.4 |
C17—Sn1—O5 | 79.4 (3) | C18—C19—C20 | 120 (2) |
O4—Sn1—O5 | 50.61 (16) | C18—C19—H19A | 107.4 |
C21—Sn1—O5 | 86.9 (3) | C20—C19—H19A | 107.4 |
O1—Sn1—O5 | 134.96 (19) | C18—C19—H19B | 107.4 |
O7i—Sn2—C29 | 115.1 (3) | C20—C19—H19B | 107.4 |
O7i—Sn2—C25 | 111.4 (2) | H19A—C19—H19B | 106.9 |
C29—Sn2—C25 | 133.5 (3) | C19—C20—H20A | 109.5 |
O7i—Sn2—O7 | 75.75 (18) | C19—C20—H20B | 109.5 |
C29—Sn2—O7 | 93.9 (3) | H20A—C20—H20B | 109.5 |
C25—Sn2—O7 | 99.2 (3) | C19—C20—H20C | 109.5 |
O7i—Sn2—O2i | 92.0 (2) | H20A—C20—H20C | 109.5 |
C29—Sn2—O2i | 87.2 (3) | H20B—C20—H20C | 109.5 |
C25—Sn2—O2i | 89.4 (3) | H20D—C20'—H20E | 109.5 |
O7—Sn2—O2i | 166.97 (19) | H20D—C20'—H20F | 109.5 |
O7i—Sn2—O4 | 135.20 (15) | H20E—C20'—H20F | 109.5 |
C29—Sn2—O4 | 76.1 (2) | C22—C21—Sn1 | 123.4 (7) |
C25—Sn2—O4 | 72.7 (2) | C22—C21—H21A | 106.5 |
O7—Sn2—O4 | 59.87 (14) | Sn1—C21—H21A | 106.5 |
O2i—Sn2—O4 | 132.70 (18) | C22—C21—H21B | 106.5 |
C1—O1—Sn1 | 127.5 (5) | Sn1—C21—H21B | 106.5 |
C1—O2—Sn2i | 130.2 (6) | H21A—C21—H21B | 106.5 |
C3—O3—C2 | 118.3 (6) | C21—C22—C23 | 111.3 (9) |
C9—O4—Sn1 | 107.5 (5) | C21—C22—H22A | 109.4 |
C9—O4—Sn2 | 164.9 (5) | C23—C22—H22A | 109.4 |
Sn1—O4—Sn2 | 87.46 (14) | C21—C22—H22B | 109.4 |
C9—O5—Sn1 | 78.2 (4) | C23—C22—H22B | 109.4 |
C11—O6—C10 | 117.0 (7) | H22A—C22—H22B | 108.0 |
Sn2i—O7—Sn1 | 129.6 (2) | C24—C23—C22 | 116.3 (11) |
Sn2i—O7—Sn2 | 104.25 (18) | C24—C23—H23A | 108.2 |
Sn1—O7—Sn2 | 125.6 (2) | C22—C23—H23A | 108.2 |
O2—C1—O1 | 121.3 (8) | C24—C23—H23B | 108.2 |
O2—C1—C2 | 124.8 (8) | C22—C23—H23B | 108.2 |
O1—C1—C2 | 113.9 (7) | H23A—C23—H23B | 107.4 |
O3—C2—C1 | 113.2 (7) | C23—C24—H24A | 109.5 |
O3—C2—H2A | 108.9 | C23—C24—H24B | 109.5 |
C1—C2—H2A | 108.9 | H24A—C24—H24B | 109.5 |
O3—C2—H2B | 108.9 | C23—C24—H24C | 109.5 |
C1—C2—H2B | 108.9 | H24A—C24—H24C | 109.5 |
H2A—C2—H2B | 107.8 | H24B—C24—H24C | 109.5 |
C4—C3—O3 | 116.7 (8) | C26—C25—Sn2 | 115.2 (5) |
C4—C3—C8 | 118.3 (8) | C26—C25—H25A | 108.5 |
O3—C3—C8 | 125.0 (8) | Sn2—C25—H25A | 108.5 |
C5—C4—C3 | 120.8 (9) | C26—C25—H25B | 108.5 |
C5—C4—Cl1 | 119.8 (8) | Sn2—C25—H25B | 108.5 |
C3—C4—Cl1 | 119.4 (8) | H25A—C25—H25B | 107.5 |
C6—C5—C4 | 119.9 (9) | C25—C26—C27 | 114.0 (8) |
C6—C5—H5 | 120.1 | C25—C26—H26A | 108.7 |
C4—C5—H5 | 120.1 | C27—C26—H26A | 108.7 |
C7—C6—C5 | 120.3 (10) | C25—C26—H26B | 108.7 |
C7—C6—Cl2 | 119.4 (9) | C27—C26—H26B | 108.7 |
C5—C6—Cl2 | 120.3 (9) | H26A—C26—H26B | 107.6 |
C6—C7—C8 | 120.6 (9) | C26—C27—C28 | 113.4 (9) |
C6—C7—H7 | 119.7 | C26—C27—H27A | 108.9 |
C8—C7—H7 | 119.7 | C28—C27—H27A | 108.9 |
C7—C8—C3 | 120.1 (9) | C26—C27—H27B | 108.9 |
C7—C8—H8 | 120.0 | C28—C27—H27B | 108.9 |
C3—C8—H8 | 120.0 | H27A—C27—H27B | 107.7 |
O5—C9—O4 | 123.6 (7) | C27—C28—H28A | 109.5 |
O5—C9—C10 | 118.5 (7) | C27—C28—H28B | 109.5 |
O4—C9—C10 | 117.8 (7) | H28A—C28—H28B | 109.5 |
O6—C10—C9 | 113.5 (6) | C27—C28—H28C | 109.5 |
O6—C10—H10A | 108.9 | H28A—C28—H28C | 109.5 |
C9—C10—H10A | 108.9 | H28B—C28—H28C | 109.5 |
O6—C10—H10B | 108.9 | C30—C29—Sn2 | 120.2 (5) |
C9—C10—H10B | 108.9 | C30—C29—H29A | 107.3 |
H10A—C10—H10B | 107.7 | Sn2—C29—H29A | 107.3 |
O6—C11—C12 | 115.4 (8) | C30—C29—H29B | 107.3 |
O6—C11—C16 | 125.6 (9) | Sn2—C29—H29B | 107.3 |
C12—C11—C16 | 119.0 (9) | H29A—C29—H29B | 106.9 |
C11—C12—C13 | 120.3 (10) | C29—C30—C31 | 115.1 (8) |
C11—C12—Cl3 | 120.0 (7) | C29—C30—H30A | 108.5 |
C13—C12—Cl3 | 119.7 (10) | C31—C30—H30A | 108.5 |
C14—C13—C12 | 118.1 (12) | C29—C30—H30B | 108.5 |
C14—C13—H13 | 120.9 | C31—C30—H30B | 108.5 |
C12—C13—H13 | 120.9 | H30A—C30—H30B | 107.5 |
C15—C14—C13 | 123.5 (12) | C32—C31—C30 | 115.2 (9) |
C15—C14—Cl4' | 110.9 (14) | C32—C31—H31A | 108.5 |
C13—C14—Cl4' | 125.5 (14) | C30—C31—H31A | 108.5 |
C15—C14—Cl4 | 138.0 (17) | C32—C31—H31B | 108.5 |
C13—C14—Cl4 | 98.3 (17) | C30—C31—H31B | 108.5 |
Cl4'—C14—Cl4 | 27.9 (7) | H31A—C31—H31B | 107.5 |
C14—C15—C16 | 119.4 (12) | C31—C32—H32A | 109.5 |
C14—C15—H15 | 120.3 | C31—C32—H32B | 109.5 |
C16—C15—H15 | 120.3 | H32A—C32—H32B | 109.5 |
C11—C16—C15 | 119.7 (11) | C31—C32—H32C | 109.5 |
C11—C16—H16 | 120.1 | H32A—C32—H32C | 109.5 |
C15—C16—H16 | 120.1 | H32B—C32—H32C | 109.5 |
C18—C17—Sn1 | 120.5 (7) |
Symmetry code: (i) −x+1, −y+1, −z. |