Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806013754/hb2023sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806013754/hb2023Isup2.hkl |
CCDC reference: 608336
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.008 Å Some non-H atoms missing
- R factor = 0.032
- wR factor = 0.089
- Data-to-parameter ratio = 25.9
checkCIF/PLATON results
No syntax errors found
Alert level B CHEMW03_ALERT_2_B WARNING: The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.95 <> 1.05 From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_weight 976.06 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 14.00 168.15 H 1.01 27.00 27.22 Cl 35.45 4.00 141.81 O 16.00 4.00 64.00 Sn 118.71 4.00 474.84 N 14.01 1.00 14.01 Calculated formula weight 890.03 PLAT043_ALERT_1_B Check Reported Molecular Weight ................ 976.06 PLAT044_ALERT_1_B Calculated and Reported Dx Differ .............. ? PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for Cl3
Alert level C CHEMW01_ALERT_1_C The ratio of given/expected molecular weight as calculated from the _chemical_formula_sum lies outside the range 0.99 <> 1.01 Calculated formula weight = 964.0660 Formula weight given = 976.0600 CHEMW01_ALERT_1_C The difference between the given and expected weight for compound is greater 1 mass unit. Check that all hydrogen atoms have been taken into account. PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.94 PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Sn2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Sn3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Sn4 PLAT602_ALERT_4_C VERY LARGE Solvent Accessible VOID(S) in Structure !
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C18 H37 Cl4 N1 O5 Sn4 Atom count from the _atom_site data: C14 H27 Cl4 N1 O4 Sn4 ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.939 Tmax scaled 0.552 Tmin scaled 0.317 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: Large difference may be due to a symmetry error - see SYMMG tests From the CIF: _cell_formula_units_Z 4 From the CIF: _chemical_formula_sum C18 H37 Cl4 N O5 Sn4 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 72.00 56.00 16.00 H 148.00 108.00 40.00 Cl 16.00 16.00 0.00 N 4.00 4.00 0.00 O 20.00 16.00 4.00 Sn 16.00 16.00 0.00
0 ALERT level A = In general: serious problem 4 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 2 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: PROGRAM (ref, date); software used to prepare material for publication: SHELXL97.
[Sn4(CH3)8(C6H3ClNO2)Cl3O2]·C4H10O | F(000) = 1864 |
Mr = 976.06 | Dx = 1.939 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 6664 reflections |
a = 16.123 (2) Å | θ = 2.3–28.1° |
b = 11.0953 (15) Å | µ = 3.30 mm−1 |
c = 20.309 (3) Å | T = 298 K |
β = 113.059 (2)° | Block, colorless |
V = 3342.7 (8) Å3 | 0.42 × 0.29 × 0.18 mm |
Z = 4 |
Bruker SMART CCD diffractometer | 6521 independent reflections |
Radiation source: fine-focus sealed tube | 4331 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.028 |
ω scans | θmax = 26.0°, θmin = 2.2° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −19→18 |
Tmin = 0.338, Tmax = 0.588 | k = 0→13 |
17200 measured reflections | l = 0→25 |
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)] = 0.032 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.089 | H-atom parameters constrained |
S = 1.08 | w = 1/[σ2(Fo2) + (0.04P)2] where P = (Fo2 + 2Fc2)/3 |
6521 reflections | (Δ/σ)max = 0.001 |
252 parameters | Δρmax = 0.57 e Å−3 |
0 restraints | Δρmin = −0.79 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 | ||
Sn1 | 0.84372 (2) | 0.43585 (3) | 0.430038 (18) | 0.04465 (11) | |
Sn2 | 0.60812 (2) | 0.42798 (3) | 0.423811 (17) | 0.04335 (11) | |
Sn3 | 0.64768 (2) | 0.30859 (3) | 0.289884 (18) | 0.04914 (12) | |
Sn4 | 0.40910 (2) | 0.31921 (3) | 0.28172 (2) | 0.05186 (12) | |
Cl1 | 0.85825 (13) | 0.71273 (16) | 0.83025 (8) | 0.0869 (5) | |
Cl2 | 0.81462 (10) | 0.31251 (16) | 0.29635 (9) | 0.0796 (5) | |
Cl3 | 0.43841 (10) | 0.41773 (16) | 0.41448 (9) | 0.0788 (5) | |
Cl4 | 0.42754 (12) | 0.22979 (17) | 0.17717 (9) | 0.0909 (6) | |
C1 | 0.8810 (4) | 0.5445 (4) | 0.5622 (3) | 0.0452 (12) | |
C2 | 0.7979 (4) | 0.5995 (5) | 0.6394 (3) | 0.0581 (15) | |
H2 | 0.7451 | 0.5760 | 0.6019 | 0.070* | |
C3 | 0.8774 (3) | 0.5915 (4) | 0.6290 (2) | 0.0417 (11) | |
C4 | 0.9549 (4) | 0.6242 (5) | 0.6863 (3) | 0.0588 (15) | |
H4 | 1.0104 | 0.6202 | 0.6825 | 0.071* | |
C5 | 0.9500 (4) | 0.6623 (5) | 0.7484 (3) | 0.0661 (16) | |
H5 | 1.0014 | 0.6848 | 0.7876 | 0.079* | |
C6 | 0.8663 (4) | 0.6662 (5) | 0.7507 (3) | 0.0561 (14) | |
C7 | 0.8556 (4) | 0.5964 (5) | 0.3800 (3) | 0.0641 (16) | |
H7A | 0.7992 | 0.6142 | 0.3415 | 0.096* | |
H7B | 0.9017 | 0.5875 | 0.3616 | 0.096* | |
H7C | 0.8713 | 0.6610 | 0.4142 | 0.096* | |
C8 | 0.9085 (4) | 0.2769 (5) | 0.4787 (3) | 0.0665 (16) | |
H8A | 0.8716 | 0.2345 | 0.4984 | 0.100* | |
H8B | 0.9654 | 0.2962 | 0.5164 | 0.100* | |
H8C | 0.9184 | 0.2271 | 0.4439 | 0.100* | |
C9 | 0.6008 (4) | 0.6148 (5) | 0.4109 (3) | 0.0744 (18) | |
H9A | 0.5672 | 0.6340 | 0.3614 | 0.112* | |
H9B | 0.6606 | 0.6473 | 0.4259 | 0.112* | |
H9C | 0.5713 | 0.6490 | 0.4394 | 0.112* | |
C10 | 0.6500 (4) | 0.3078 (5) | 0.5111 (3) | 0.0740 (18) | |
H10A | 0.6859 | 0.2448 | 0.5031 | 0.111* | |
H10B | 0.5981 | 0.2732 | 0.5160 | 0.111* | |
H10C | 0.6853 | 0.3505 | 0.5542 | 0.111* | |
C11 | 0.6089 (5) | 0.4304 (6) | 0.2044 (3) | 0.085 (2) | |
H11A | 0.6519 | 0.4949 | 0.2155 | 0.128* | |
H11B | 0.5505 | 0.4625 | 0.1966 | 0.128* | |
H11C | 0.6065 | 0.3896 | 0.1620 | 0.128* | |
C12 | 0.6525 (4) | 0.1232 (5) | 0.3072 (3) | 0.0768 (19) | |
H12A | 0.6613 | 0.1075 | 0.3559 | 0.115* | |
H12B | 0.7016 | 0.0893 | 0.2978 | 0.115* | |
H12C | 0.5969 | 0.0874 | 0.2757 | 0.115* | |
C13 | 0.3526 (4) | 0.4827 (5) | 0.2334 (4) | 0.082 (2) | |
H13A | 0.3996 | 0.5359 | 0.2335 | 0.123* | |
H13B | 0.3209 | 0.5191 | 0.2597 | 0.123* | |
H13C | 0.3114 | 0.4682 | 0.1850 | 0.123* | |
C14 | 0.3737 (4) | 0.1571 (5) | 0.3169 (4) | 0.080 (2) | |
H14A | 0.4273 | 0.1125 | 0.3440 | 0.120* | |
H14B | 0.3365 | 0.1103 | 0.2763 | 0.120* | |
H14C | 0.3410 | 0.1741 | 0.3464 | 0.120* | |
N1 | 0.7915 (3) | 0.6382 (4) | 0.6992 (2) | 0.0608 (12) | |
O1 | 0.7105 (2) | 0.3945 (3) | 0.38496 (16) | 0.0469 (8) | |
O2 | 0.5441 (2) | 0.3438 (3) | 0.32797 (17) | 0.0496 (9) | |
O3 | 0.8063 (2) | 0.5072 (3) | 0.51286 (17) | 0.0509 (9) | |
O4 | 0.9517 (2) | 0.5415 (3) | 0.55299 (19) | 0.0601 (10) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.03337 (19) | 0.0612 (2) | 0.0392 (2) | −0.00358 (17) | 0.01401 (16) | −0.00479 (17) |
Sn2 | 0.0408 (2) | 0.0550 (2) | 0.03617 (19) | −0.00212 (17) | 0.01712 (16) | −0.00803 (16) |
Sn3 | 0.0451 (2) | 0.0676 (3) | 0.0359 (2) | −0.00767 (18) | 0.01718 (17) | −0.01366 (17) |
Sn4 | 0.0354 (2) | 0.0596 (2) | 0.0546 (2) | −0.00782 (17) | 0.01118 (18) | −0.00670 (19) |
Cl1 | 0.0977 (13) | 0.1142 (14) | 0.0564 (10) | −0.0179 (11) | 0.0384 (9) | −0.0367 (9) |
Cl2 | 0.0524 (9) | 0.1281 (14) | 0.0708 (10) | −0.0147 (9) | 0.0374 (8) | −0.0345 (10) |
Cl3 | 0.0406 (8) | 0.1320 (14) | 0.0697 (10) | −0.0151 (9) | 0.0279 (8) | −0.0391 (10) |
Cl4 | 0.0925 (13) | 0.1113 (14) | 0.0689 (11) | −0.0203 (11) | 0.0317 (10) | −0.0352 (10) |
C1 | 0.047 (3) | 0.050 (3) | 0.035 (3) | 0.005 (3) | 0.013 (2) | −0.004 (2) |
C2 | 0.039 (3) | 0.080 (4) | 0.049 (3) | −0.007 (3) | 0.009 (3) | −0.018 (3) |
C3 | 0.038 (3) | 0.051 (3) | 0.035 (3) | −0.002 (2) | 0.014 (2) | −0.009 (2) |
C4 | 0.039 (3) | 0.082 (4) | 0.054 (3) | −0.012 (3) | 0.016 (3) | −0.019 (3) |
C5 | 0.060 (4) | 0.086 (4) | 0.045 (3) | −0.018 (3) | 0.013 (3) | −0.024 (3) |
C6 | 0.067 (4) | 0.062 (4) | 0.045 (3) | −0.006 (3) | 0.028 (3) | −0.015 (3) |
C7 | 0.070 (4) | 0.071 (4) | 0.054 (4) | −0.004 (3) | 0.027 (3) | 0.010 (3) |
C8 | 0.055 (4) | 0.065 (4) | 0.071 (4) | 0.001 (3) | 0.016 (3) | 0.003 (3) |
C9 | 0.078 (5) | 0.054 (4) | 0.084 (5) | 0.016 (3) | 0.024 (4) | −0.004 (3) |
C10 | 0.079 (5) | 0.094 (5) | 0.055 (4) | 0.002 (4) | 0.033 (3) | 0.013 (3) |
C11 | 0.087 (5) | 0.108 (5) | 0.063 (4) | −0.017 (4) | 0.032 (4) | 0.017 (4) |
C12 | 0.096 (5) | 0.069 (4) | 0.071 (4) | −0.015 (4) | 0.039 (4) | −0.024 (3) |
C13 | 0.071 (5) | 0.073 (4) | 0.098 (5) | 0.018 (4) | 0.030 (4) | 0.016 (4) |
C14 | 0.077 (5) | 0.063 (4) | 0.107 (6) | −0.004 (3) | 0.044 (4) | 0.005 (4) |
N1 | 0.049 (3) | 0.088 (3) | 0.052 (3) | −0.004 (3) | 0.028 (3) | −0.016 (3) |
O1 | 0.0323 (18) | 0.069 (2) | 0.0393 (19) | −0.0062 (16) | 0.0144 (15) | −0.0169 (17) |
O2 | 0.0304 (18) | 0.073 (2) | 0.046 (2) | −0.0055 (17) | 0.0154 (16) | −0.0162 (18) |
O3 | 0.041 (2) | 0.072 (2) | 0.041 (2) | −0.0031 (18) | 0.0175 (17) | −0.0131 (18) |
O4 | 0.047 (2) | 0.084 (3) | 0.053 (2) | −0.007 (2) | 0.0229 (19) | −0.015 (2) |
Sn1—O1 | 2.031 (3) | C4—C5 | 1.360 (7) |
Sn1—C8 | 2.091 (5) | C4—H4 | 0.9300 |
Sn1—C7 | 2.096 (5) | C5—C6 | 1.370 (7) |
Sn1—O3 | 2.148 (3) | C5—H5 | 0.9300 |
Sn1—O4 | 2.690 (4) | C6—N1 | 1.288 (7) |
Sn1—Cl2 | 2.9098 (15) | C7—H7A | 0.9600 |
Sn2—O2 | 2.038 (3) | C7—H7B | 0.9600 |
Sn2—C9 | 2.087 (5) | C7—H7C | 0.9600 |
Sn2—C10 | 2.108 (5) | C8—H8A | 0.9600 |
Sn2—O1 | 2.122 (3) | C8—H8B | 0.9600 |
Sn2—Cl3 | 2.6701 (15) | C8—H8C | 0.9600 |
Sn3—O1 | 2.032 (3) | C9—H9A | 0.9600 |
Sn3—C12 | 2.083 (6) | C9—H9B | 0.9600 |
Sn3—C11 | 2.092 (6) | C9—H9C | 0.9600 |
Sn3—O2 | 2.134 (3) | C10—H10A | 0.9600 |
Sn3—Cl2 | 2.6434 (15) | C10—H10B | 0.9600 |
Sn4—O2 | 2.023 (3) | C10—H10C | 0.9600 |
Sn4—C13 | 2.094 (6) | C11—H11A | 0.9600 |
Sn4—C14 | 2.096 (6) | C11—H11B | 0.9600 |
Sn4—Cl4 | 2.4649 (17) | C11—H11C | 0.9600 |
Sn4—Cl3 | 2.7730 (15) | C12—H12A | 0.9600 |
Cl1—C6 | 1.749 (5) | C12—H12B | 0.9600 |
C1—O4 | 1.226 (6) | C12—H12C | 0.9600 |
C1—O3 | 1.296 (6) | C13—H13A | 0.9600 |
C1—C3 | 1.477 (6) | C13—H13B | 0.9600 |
C2—N1 | 1.330 (6) | C13—H13C | 0.9600 |
C2—C3 | 1.380 (7) | C14—H14A | 0.9600 |
C2—H2 | 0.9300 | C14—H14B | 0.9600 |
C3—C4 | 1.381 (7) | C14—H14C | 0.9600 |
O1—Sn1—C8 | 105.51 (18) | C6—C5—H5 | 121.4 |
O1—Sn1—C7 | 104.75 (19) | N1—C6—C5 | 126.0 (5) |
C8—Sn1—C7 | 145.4 (2) | N1—C6—Cl1 | 115.9 (4) |
O1—Sn1—O3 | 82.20 (12) | C5—C6—Cl1 | 118.2 (5) |
C8—Sn1—O3 | 100.49 (19) | Sn1—C7—H7A | 109.5 |
C7—Sn1—O3 | 99.95 (18) | Sn1—C7—H7B | 109.5 |
O1—Sn1—O4 | 134.66 (11) | H7A—C7—H7B | 109.5 |
C8—Sn1—O4 | 84.63 (18) | Sn1—C7—H7C | 109.5 |
C7—Sn1—O4 | 86.03 (18) | H7A—C7—H7C | 109.5 |
O3—Sn1—O4 | 52.46 (11) | H7B—C7—H7C | 109.5 |
O1—Sn1—Cl2 | 73.60 (9) | Sn1—C8—H8A | 109.5 |
C8—Sn1—Cl2 | 85.00 (17) | Sn1—C8—H8B | 109.5 |
C7—Sn1—Cl2 | 87.68 (16) | H8A—C8—H8B | 109.5 |
O3—Sn1—Cl2 | 155.76 (9) | Sn1—C8—H8C | 109.5 |
O4—Sn1—Cl2 | 151.68 (8) | H8A—C8—H8C | 109.5 |
C1—Sn1—Cl2 | 176.37 (11) | H8B—C8—H8C | 109.5 |
O2—Sn2—C9 | 110.6 (2) | Sn2—C9—H9A | 109.5 |
O2—Sn2—C10 | 112.9 (2) | Sn2—C9—H9B | 109.5 |
C9—Sn2—C10 | 135.9 (2) | H9A—C9—H9B | 109.5 |
O2—Sn2—O1 | 75.02 (12) | Sn2—C9—H9C | 109.5 |
C9—Sn2—O1 | 98.08 (19) | H9A—C9—H9C | 109.5 |
C10—Sn2—O1 | 99.35 (19) | H9B—C9—H9C | 109.5 |
O2—Sn2—Cl3 | 77.93 (9) | Sn2—C10—H10A | 109.5 |
C9—Sn2—Cl3 | 91.59 (17) | Sn2—C10—H10B | 109.5 |
C10—Sn2—Cl3 | 90.84 (17) | H10A—C10—H10B | 109.5 |
O1—Sn2—Cl3 | 152.95 (9) | Sn2—C10—H10C | 109.5 |
O1—Sn3—C12 | 109.35 (19) | H10A—C10—H10C | 109.5 |
O1—Sn3—C11 | 111.1 (2) | H10B—C10—H10C | 109.5 |
C12—Sn3—C11 | 139.2 (2) | Sn3—C11—H11A | 109.5 |
O1—Sn3—O2 | 74.87 (12) | Sn3—C11—H11B | 109.5 |
C12—Sn3—O2 | 95.91 (19) | H11A—C11—H11B | 109.5 |
C11—Sn3—O2 | 99.2 (2) | Sn3—C11—H11C | 109.5 |
O1—Sn3—Cl2 | 80.01 (9) | H11A—C11—H11C | 109.5 |
C12—Sn3—Cl2 | 92.16 (18) | H11B—C11—H11C | 109.5 |
C11—Sn3—Cl2 | 89.91 (18) | Sn3—C12—H12A | 109.5 |
O2—Sn3—Cl2 | 154.88 (9) | Sn3—C12—H12B | 109.5 |
O2—Sn4—C13 | 107.0 (2) | H12A—C12—H12B | 109.5 |
O2—Sn4—C14 | 110.2 (2) | Sn3—C12—H12C | 109.5 |
C13—Sn4—C14 | 141.0 (2) | H12A—C12—H12C | 109.5 |
O2—Sn4—Cl4 | 89.06 (10) | H12B—C12—H12C | 109.5 |
C13—Sn4—Cl4 | 97.0 (2) | Sn4—C13—H13A | 109.5 |
C14—Sn4—Cl4 | 95.09 (18) | Sn4—C13—H13B | 109.5 |
O2—Sn4—Cl3 | 75.68 (9) | H13A—C13—H13B | 109.5 |
C13—Sn4—Cl3 | 89.5 (2) | Sn4—C13—H13C | 109.5 |
C14—Sn4—Cl3 | 88.43 (19) | H13A—C13—H13C | 109.5 |
Cl4—Sn4—Cl3 | 164.60 (5) | H13B—C13—H13C | 109.5 |
Sn3—Cl2—Sn1 | 80.96 (4) | Sn4—C14—H14A | 109.5 |
Sn2—Cl3—Sn4 | 82.27 (4) | Sn4—C14—H14B | 109.5 |
O4—C1—O3 | 120.7 (4) | H14A—C14—H14B | 109.5 |
O4—C1—C3 | 121.6 (5) | Sn4—C14—H14C | 109.5 |
O3—C1—C3 | 117.7 (4) | H14A—C14—H14C | 109.5 |
N1—C2—C3 | 124.7 (5) | H14B—C14—H14C | 109.5 |
N1—C2—H2 | 117.7 | C6—N1—C2 | 115.9 (5) |
C3—C2—H2 | 117.7 | Sn1—O1—Sn3 | 125.42 (15) |
C2—C3—C4 | 116.3 (5) | Sn1—O1—Sn2 | 129.22 (15) |
C2—C3—C1 | 122.4 (5) | Sn3—O1—Sn2 | 105.35 (13) |
C4—C3—C1 | 121.2 (5) | Sn4—O2—Sn2 | 123.77 (15) |
C5—C4—C3 | 120.0 (5) | Sn4—O2—Sn3 | 131.26 (16) |
C5—C4—H4 | 120.0 | Sn2—O2—Sn3 | 104.74 (13) |
C3—C4—H4 | 120.0 | C1—O3—Sn1 | 105.2 (3) |
C4—C5—C6 | 117.2 (5) | C1—O4—Sn1 | 81.4 (3) |
C4—C5—H5 | 121.4 | ||
O2—Sn2—Cl3—Sn4 | −3.55 (10) | C9—Sn2—O1—Sn1 | 70.3 (3) |
C9—Sn2—Cl3—Sn4 | 107.22 (17) | C10—Sn2—O1—Sn1 | −69.1 (3) |
C10—Sn2—Cl3—Sn4 | −116.83 (17) | Cl3—Sn2—O1—Sn1 | −179.87 (10) |
O1—Sn2—Cl3—Sn4 | −4.1 (2) | O2—Sn2—O1—Sn3 | −0.71 (14) |
O2—Sn4—Cl3—Sn2 | 3.61 (11) | C9—Sn2—O1—Sn3 | −110.0 (2) |
C13—Sn4—Cl3—Sn2 | −104.06 (18) | C10—Sn2—O1—Sn3 | 110.7 (2) |
C14—Sn4—Cl3—Sn2 | 114.90 (18) | Cl3—Sn2—O1—Sn3 | −0.1 (3) |
Cl4—Sn4—Cl3—Sn2 | 11.3 (3) | C13—Sn4—O2—Sn2 | 79.3 (3) |
N1—C2—C3—C4 | 1.5 (8) | C14—Sn4—O2—Sn2 | −88.5 (3) |
N1—C2—C3—C1 | 178.2 (5) | Cl4—Sn4—O2—Sn2 | 176.40 (19) |
O4—C1—C3—C2 | 177.7 (5) | Cl3—Sn4—O2—Sn2 | −5.64 (17) |
O3—C1—C3—C2 | −1.6 (7) | C13—Sn4—O2—Sn3 | −94.4 (3) |
O4—C1—C3—C4 | −5.7 (8) | C14—Sn4—O2—Sn3 | 97.7 (3) |
O3—C1—C3—C4 | 174.9 (5) | Cl4—Sn4—O2—Sn3 | 2.7 (2) |
C2—C3—C4—C5 | −0.4 (8) | Cl3—Sn4—O2—Sn3 | −179.4 (2) |
C1—C3—C4—C5 | −177.1 (5) | C9—Sn2—O2—Sn4 | −81.3 (3) |
C3—C4—C5—C6 | 0.1 (9) | C10—Sn2—O2—Sn4 | 91.6 (3) |
C4—C5—C6—N1 | −0.8 (10) | O1—Sn2—O2—Sn4 | −174.5 (2) |
C4—C5—C6—Cl1 | 179.1 (4) | Cl3—Sn2—O2—Sn4 | 5.81 (17) |
C5—C6—N1—C2 | 1.8 (9) | C9—Sn2—O2—Sn3 | 93.8 (2) |
Cl1—C6—N1—C2 | −178.1 (4) | C10—Sn2—O2—Sn3 | −93.3 (2) |
C3—C2—N1—C6 | −2.2 (9) | O1—Sn2—O2—Sn3 | 0.68 (13) |
C8—Sn1—O1—Sn3 | −80.4 (2) | Cl3—Sn2—O2—Sn3 | −179.06 (15) |
C7—Sn1—O1—Sn3 | 82.5 (3) | O1—Sn3—O2—Sn4 | 173.9 (3) |
O3—Sn1—O1—Sn3 | −179.2 (2) | C12—Sn3—O2—Sn4 | −77.6 (3) |
C8—Sn1—O1—Sn2 | 99.2 (3) | C11—Sn3—O2—Sn4 | 64.4 (3) |
C7—Sn1—O1—Sn2 | −97.8 (2) | Cl2—Sn3—O2—Sn4 | 174.35 (10) |
O3—Sn1—O1—Sn2 | 0.5 (2) | O1—Sn3—O2—Sn2 | −0.71 (14) |
C12—Sn3—O1—Sn1 | 89.4 (3) | C12—Sn3—O2—Sn2 | 107.8 (2) |
C11—Sn3—O1—Sn1 | −85.4 (3) | C11—Sn3—O2—Sn2 | −110.3 (2) |
O2—Sn3—O1—Sn1 | −179.6 (2) | Cl2—Sn3—O2—Sn2 | −0.3 (3) |
Cl2—Sn3—O1—Sn1 | 0.61 (17) | O4—C1—O3—Sn1 | 4.6 (6) |
C12—Sn3—O1—Sn2 | −90.4 (2) | C3—C1—O3—Sn1 | −176.0 (3) |
C11—Sn3—O1—Sn2 | 94.9 (2) | O1—Sn1—O3—C1 | 176.9 (3) |
O2—Sn3—O1—Sn2 | 0.68 (14) | C8—Sn1—O3—C1 | 72.5 (3) |
Cl2—Sn3—O1—Sn2 | −179.13 (14) | C7—Sn1—O3—C1 | −79.4 (3) |
O2—Sn2—O1—Sn1 | 179.6 (2) |
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