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
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.016 Å
- Disorder in main residue
- R factor = 0.049
- wR factor = 0.134
- Data-to-parameter ratio = 15.8
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.64 PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.00 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.33 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O1 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C13 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C15 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Sn1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C12 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C19' PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C27 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C31 PLAT301_ALERT_3_C Main Residue Disorder ......................... 6.00 Perc. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 16 PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C23 - C24 ... 1.39 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C13 - C14 ... 1.34 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C14 - C15 ... 1.32 Ang. PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 27.90 Deg. CL4' -C14 -CL4 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 21 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 16 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
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. |
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