Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806000407/xu6073sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806000407/xu6073Isup2.hkl |
CCDC reference: 298579
Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.
[Sn4(C7H6F)8Cl4O2]·2H2O | Z = 1 |
Mr = 1557.54 | F(000) = 760 |
Triclinic, P1 | Dx = 1.722 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.6243 (17) Å | Cell parameters from 5183 reflections |
b = 10.8750 (18) Å | θ = 2.7–25.0° |
c = 14.157 (2) Å | µ = 1.89 mm−1 |
α = 104.983 (2)° | T = 273 K |
β = 107.084 (2)° | Block, colourless |
γ = 91.115 (2)° | 0.41 × 0.37 × 0.32 mm |
V = 1502.3 (4) Å3 |
Bruker SMART CCD area-detector diffractometer | 5182 independent reflections |
Radiation source: fine-focus sealed tube | 4257 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.014 |
φ and ω scans | θmax = 25.0°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −12→12 |
Tmin = 0.480, Tmax = 0.546 | k = −8→12 |
7857 measured reflections | l = −16→16 |
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)] = 0.027 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.071 | H-atom parameters constrained |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0324P)2 + 1.4097P] where P = (Fo2 + 2Fc2)/3 |
5182 reflections | (Δ/σ)max = 0.001 |
393 parameters | Δρmax = 0.62 e Å−3 |
34 restraints | Δρmin = −0.38 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 | 0.65679 (3) | 0.35797 (3) | 0.33972 (2) | 0.03337 (9) | |
Sn2 | 0.35408 (2) | 0.48810 (2) | 0.408121 (19) | 0.02968 (9) | |
Cl1 | 0.46152 (11) | 0.32122 (11) | 0.19276 (8) | 0.0478 (3) | |
Cl2 | 0.15626 (10) | 0.57782 (11) | 0.46275 (8) | 0.0419 (2) | |
F1 | 0.7968 (6) | 0.0706 (6) | 0.1948 (5) | 0.112 (3) | 0.717 (11) |
F2 | 0.8888 (6) | 0.3204 (5) | 0.2024 (5) | 0.116 (2) | 0.813 (10) |
F3 | 0.4385 (3) | 0.1730 (3) | 0.4654 (3) | 0.0698 (12) | 0.914 (8) |
F4 | 0.1341 (3) | 0.4973 (3) | 0.1847 (3) | 0.0726 (13) | 0.912 (9) |
F1' | 0.4449 (14) | 0.0472 (14) | 0.2954 (12) | 0.106 (7) | 0.283 (11) |
F2' | 0.6180 (16) | 0.6329 (16) | 0.2060 (13) | 0.066 (7) | 0.187 (10) |
F3' | 0.006 (2) | 0.280 (3) | 0.3909 (15) | 0.041 (10) | 0.086 (8) |
F4' | 0.349 (3) | 0.871 (3) | 0.414 (3) | 0.074 (15) | 0.088 (9) |
O1 | 0.5577 (2) | 0.4460 (3) | 0.43605 (19) | 0.0316 (6) | |
O2 | 0.1091 (8) | 0.1331 (11) | 0.0528 (7) | 0.105 (3) | 0.54 |
H1 | 0.1347 | 0.0593 | 0.0588 | 0.126* | |
H2 | 0.0278 | 0.1144 | 0.0495 | 0.126* | |
O2' | 0.0776 (12) | 0.0712 (13) | 0.0807 (10) | 0.125 (5) | 0.46 |
C1 | 0.6854 (5) | 0.1653 (4) | 0.3467 (4) | 0.0528 (12) | |
H1A | 0.7798 | 0.1576 | 0.3660 | 0.063* | |
H1B | 0.6541 | 0.1512 | 0.4012 | 0.063* | |
C2 | 0.6199 (5) | 0.0617 (4) | 0.2514 (4) | 0.0524 (12) | |
C3 | 0.6795 (7) | 0.0160 (6) | 0.1766 (5) | 0.0767 (17) | |
H3 | 0.7639 | 0.0526 | 0.1865 | 0.092* | 0.283 (11) |
C4 | 0.6207 (10) | −0.0812 (6) | 0.0878 (5) | 0.100 (2) | |
H4 | 0.6651 | −0.1088 | 0.0397 | 0.119* | |
C5 | 0.4973 (9) | −0.1360 (7) | 0.0715 (5) | 0.094 (2) | |
H5 | 0.4563 | −0.2010 | 0.0119 | 0.113* | |
C6 | 0.4339 (7) | −0.0950 (6) | 0.1435 (6) | 0.088 (2) | |
H6 | 0.3501 | −0.1333 | 0.1330 | 0.106* | |
C7 | 0.4936 (6) | 0.0040 (5) | 0.2324 (5) | 0.0698 (15) | |
H7 | 0.4482 | 0.0318 | 0.2798 | 0.084* | 0.717 (11) |
C8 | 0.7736 (5) | 0.4980 (5) | 0.3112 (4) | 0.0567 (13) | |
H8A | 0.7511 | 0.5822 | 0.3408 | 0.068* | |
H8B | 0.8661 | 0.4939 | 0.3462 | 0.068* | |
C9 | 0.7564 (5) | 0.4827 (5) | 0.2006 (3) | 0.0469 (11) | |
C10 | 0.8156 (6) | 0.3941 (6) | 0.1463 (4) | 0.0663 (15) | |
H10 | 0.8679 | 0.3411 | 0.1797 | 0.080* | 0.187 (10) |
C11 | 0.8020 (8) | 0.3786 (7) | 0.0424 (6) | 0.097 (2) | |
H11 | 0.8436 | 0.3168 | 0.0071 | 0.116* | |
C12 | 0.7246 (9) | 0.4583 (9) | −0.0053 (5) | 0.097 (2) | |
H12 | 0.7135 | 0.4501 | −0.0743 | 0.116* | |
C13 | 0.6659 (7) | 0.5457 (9) | 0.0443 (6) | 0.095 (3) | |
H13 | 0.6148 | 0.5989 | 0.0103 | 0.115* | |
C14 | 0.6794 (5) | 0.5595 (7) | 0.1467 (5) | 0.0716 (17) | |
H14 | 0.6361 | 0.6213 | 0.1803 | 0.086* | 0.813 (10) |
C15 | 0.2532 (4) | 0.2977 (4) | 0.3494 (3) | 0.0415 (10) | |
H15A | 0.1695 | 0.2990 | 0.2984 | 0.050* | |
H15B | 0.3058 | 0.2421 | 0.3147 | 0.050* | |
C16 | 0.2263 (4) | 0.2411 (4) | 0.4273 (3) | 0.0385 (10) | |
C17 | 0.3206 (4) | 0.1812 (4) | 0.4851 (4) | 0.0458 (11) | |
H17 | 0.4022 | 0.1768 | 0.4733 | 0.055* | 0.086 (8) |
C18 | 0.3021 (5) | 0.1277 (5) | 0.5587 (4) | 0.0584 (13) | |
H18 | 0.3699 | 0.0903 | 0.5962 | 0.070* | |
C19 | 0.1814 (6) | 0.1308 (5) | 0.5757 (4) | 0.0605 (14) | |
H19 | 0.1658 | 0.0938 | 0.6240 | 0.073* | |
C20 | 0.0844 (5) | 0.1886 (5) | 0.5210 (4) | 0.0570 (13) | |
H20 | 0.0027 | 0.1916 | 0.5327 | 0.068* | |
C21 | 0.1065 (5) | 0.2424 (4) | 0.4483 (4) | 0.0490 (11) | |
H21 | 0.0387 | 0.2811 | 0.4121 | 0.059* | 0.914 (8) |
C22 | 0.3690 (4) | 0.6216 (4) | 0.3229 (3) | 0.0414 (10) | |
H22A | 0.4431 | 0.6854 | 0.3642 | 0.050* | |
H22B | 0.3895 | 0.5762 | 0.2615 | 0.050* | |
C23 | 0.2501 (4) | 0.6893 (4) | 0.2913 (3) | 0.0377 (10) | |
C24 | 0.1350 (5) | 0.6258 (4) | 0.2204 (4) | 0.0463 (11) | |
H24 | 0.1319 | 0.5377 | 0.1940 | 0.056* | 0.088 (9) |
C25 | 0.0231 (5) | 0.6837 (6) | 0.1854 (4) | 0.0625 (14) | |
H25 | −0.0517 | 0.6368 | 0.1349 | 0.075* | |
C26 | 0.0256 (6) | 0.8134 (6) | 0.2276 (5) | 0.0728 (17) | |
H26 | −0.0489 | 0.8548 | 0.2062 | 0.087* | |
C27 | 0.1355 (6) | 0.8807 (5) | 0.2999 (5) | 0.0767 (17) | |
H27 | 0.1363 | 0.9681 | 0.3279 | 0.092* | |
C28 | 0.2479 (6) | 0.8196 (5) | 0.3329 (4) | 0.0587 (13) | |
H28 | 0.3224 | 0.8669 | 0.3836 | 0.070* | 0.912 (9) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.03693 (17) | 0.03479 (16) | 0.03168 (16) | 0.00631 (12) | 0.01549 (13) | 0.00900 (12) |
Sn2 | 0.02960 (15) | 0.03264 (16) | 0.02651 (15) | 0.00359 (11) | 0.00658 (11) | 0.01006 (11) |
Cl1 | 0.0478 (6) | 0.0557 (7) | 0.0344 (6) | 0.0036 (5) | 0.0066 (5) | 0.0101 (5) |
Cl2 | 0.0333 (5) | 0.0541 (6) | 0.0395 (6) | 0.0112 (5) | 0.0116 (5) | 0.0139 (5) |
F1 | 0.109 (5) | 0.100 (4) | 0.129 (5) | −0.020 (3) | 0.074 (4) | −0.008 (3) |
F2 | 0.151 (5) | 0.082 (4) | 0.146 (5) | 0.043 (3) | 0.073 (4) | 0.049 (3) |
F3 | 0.050 (2) | 0.085 (3) | 0.082 (3) | 0.0147 (17) | 0.0246 (18) | 0.030 (2) |
F4 | 0.072 (2) | 0.046 (2) | 0.081 (3) | −0.0030 (16) | 0.0048 (19) | 0.0080 (17) |
F1' | 0.101 (11) | 0.103 (11) | 0.122 (13) | −0.004 (8) | 0.078 (10) | −0.005 (9) |
F2' | 0.066 (11) | 0.067 (11) | 0.081 (13) | 0.023 (8) | 0.036 (9) | 0.028 (9) |
F3' | 0.026 (12) | 0.048 (13) | 0.050 (13) | 0.011 (8) | 0.007 (8) | 0.018 (8) |
F4' | 0.035 (19) | 0.05 (2) | 0.09 (3) | 0.013 (14) | −0.013 (17) | −0.025 (18) |
O1 | 0.0261 (14) | 0.0428 (16) | 0.0255 (14) | 0.0071 (12) | 0.0079 (11) | 0.0084 (12) |
O2 | 0.079 (5) | 0.162 (8) | 0.072 (5) | −0.005 (5) | 0.040 (4) | 0.010 (5) |
O2' | 0.141 (9) | 0.125 (8) | 0.099 (8) | −0.011 (7) | 0.027 (6) | 0.027 (6) |
C1 | 0.062 (3) | 0.040 (3) | 0.047 (3) | 0.013 (2) | 0.006 (2) | 0.010 (2) |
C2 | 0.070 (3) | 0.033 (2) | 0.053 (3) | 0.017 (2) | 0.016 (3) | 0.012 (2) |
C3 | 0.096 (5) | 0.058 (4) | 0.083 (4) | 0.010 (3) | 0.042 (4) | 0.014 (3) |
C4 | 0.159 (8) | 0.066 (4) | 0.076 (5) | 0.007 (5) | 0.064 (5) | −0.008 (4) |
C5 | 0.126 (7) | 0.071 (4) | 0.063 (4) | −0.007 (4) | 0.015 (4) | −0.002 (3) |
C6 | 0.086 (5) | 0.061 (4) | 0.088 (5) | −0.008 (3) | 0.000 (4) | 0.002 (4) |
C7 | 0.075 (4) | 0.051 (3) | 0.074 (4) | 0.006 (3) | 0.018 (3) | 0.005 (3) |
C8 | 0.059 (3) | 0.067 (3) | 0.042 (3) | −0.018 (3) | 0.013 (2) | 0.016 (2) |
C9 | 0.046 (3) | 0.059 (3) | 0.041 (3) | −0.009 (2) | 0.016 (2) | 0.020 (2) |
C10 | 0.071 (4) | 0.065 (4) | 0.062 (4) | −0.010 (3) | 0.023 (3) | 0.014 (3) |
C11 | 0.116 (6) | 0.092 (5) | 0.077 (5) | −0.032 (5) | 0.059 (5) | −0.018 (4) |
C12 | 0.097 (5) | 0.136 (6) | 0.053 (4) | −0.033 (5) | 0.021 (4) | 0.025 (4) |
C13 | 0.063 (4) | 0.157 (8) | 0.074 (5) | −0.016 (4) | −0.003 (4) | 0.074 (5) |
C14 | 0.047 (3) | 0.103 (5) | 0.077 (4) | 0.001 (3) | 0.021 (3) | 0.045 (4) |
C15 | 0.040 (2) | 0.042 (2) | 0.035 (2) | −0.0047 (19) | 0.0094 (19) | 0.0021 (19) |
C16 | 0.037 (2) | 0.032 (2) | 0.042 (2) | −0.0012 (18) | 0.0097 (19) | 0.0057 (19) |
C17 | 0.041 (3) | 0.040 (2) | 0.054 (3) | 0.002 (2) | 0.014 (2) | 0.009 (2) |
C18 | 0.063 (3) | 0.053 (3) | 0.062 (3) | 0.012 (3) | 0.015 (3) | 0.026 (3) |
C19 | 0.077 (4) | 0.052 (3) | 0.066 (3) | 0.002 (3) | 0.032 (3) | 0.028 (3) |
C20 | 0.055 (3) | 0.053 (3) | 0.077 (4) | 0.001 (2) | 0.036 (3) | 0.023 (3) |
C21 | 0.045 (3) | 0.045 (3) | 0.064 (3) | 0.012 (2) | 0.020 (2) | 0.024 (2) |
C22 | 0.038 (2) | 0.048 (3) | 0.047 (3) | 0.004 (2) | 0.015 (2) | 0.025 (2) |
C23 | 0.043 (2) | 0.037 (2) | 0.040 (2) | 0.0052 (19) | 0.013 (2) | 0.0211 (19) |
C24 | 0.046 (3) | 0.040 (3) | 0.053 (3) | 0.003 (2) | 0.012 (2) | 0.018 (2) |
C25 | 0.043 (3) | 0.074 (4) | 0.068 (4) | 0.001 (3) | 0.005 (3) | 0.031 (3) |
C26 | 0.059 (4) | 0.075 (4) | 0.095 (5) | 0.029 (3) | 0.020 (3) | 0.044 (4) |
C27 | 0.084 (4) | 0.045 (3) | 0.094 (5) | 0.023 (3) | 0.016 (4) | 0.020 (3) |
C28 | 0.067 (3) | 0.046 (3) | 0.056 (3) | 0.006 (3) | 0.009 (3) | 0.012 (2) |
Sn1—O1 | 2.023 (2) | C8—H8B | 0.9700 |
Sn1—C8 | 2.135 (5) | C9—C10 | 1.357 (7) |
Sn1—C1 | 2.146 (4) | C9—C14 | 1.392 (7) |
Sn1—Cl1 | 2.4071 (12) | C10—C11 | 1.399 (9) |
Sn1—Cl2i | 2.8152 (11) | C10—H10 | 0.9300 |
Sn2—O1i | 2.049 (2) | C11—C12 | 1.374 (11) |
Sn2—C22 | 2.144 (4) | C11—H11 | 0.9300 |
Sn2—C15 | 2.151 (4) | C12—C13 | 1.311 (11) |
Sn2—O1 | 2.162 (2) | C12—H12 | 0.9300 |
Sn2—Cl2 | 2.5713 (11) | C13—C14 | 1.382 (9) |
Cl2—Sn1i | 2.8152 (11) | C13—H13 | 0.9300 |
F1—C3 | 1.295 (8) | C14—H14 | 0.9300 |
F2—C10 | 1.367 (7) | C15—C16 | 1.485 (6) |
F3—C17 | 1.361 (5) | C15—H15A | 0.9700 |
F4—C24 | 1.356 (5) | C15—H15B | 0.9700 |
F1'—C7 | 1.160 (13) | C16—C17 | 1.384 (6) |
F2'—C14 | 1.327 (16) | C16—C21 | 1.389 (6) |
F3'—C21 | 1.282 (14) | C17—C18 | 1.376 (7) |
F4'—C28 | 1.30 (3) | C17—H17 | 0.9300 |
O1—Sn2i | 2.049 (2) | C18—C19 | 1.371 (7) |
O2—O2' | 0.964 (13) | C18—H18 | 0.9300 |
O2—H1 | 0.8687 | C19—C20 | 1.366 (7) |
O2—H2 | 0.8684 | C19—H19 | 0.9300 |
O2'—H1 | 0.7581 | C20—C21 | 1.380 (6) |
O2'—H2 | 0.8223 | C20—H20 | 0.9300 |
C1—C2 | 1.485 (7) | C21—H21 | 0.9300 |
C1—H1A | 0.9700 | C22—C23 | 1.487 (6) |
C1—H1B | 0.9700 | C22—H22A | 0.9700 |
C2—C3 | 1.380 (8) | C22—H22B | 0.9700 |
C2—C7 | 1.391 (8) | C23—C24 | 1.367 (6) |
C3—C4 | 1.384 (9) | C23—C28 | 1.391 (6) |
C3—H3 | 0.9300 | C24—C25 | 1.378 (7) |
C4—C5 | 1.360 (10) | C24—H24 | 0.9300 |
C4—H4 | 0.9300 | C25—C26 | 1.378 (8) |
C5—C6 | 1.368 (10) | C25—H25 | 0.9300 |
C5—H5 | 0.9300 | C26—C27 | 1.351 (8) |
C6—C7 | 1.396 (8) | C26—H26 | 0.9300 |
C6—H6 | 0.9300 | C27—C28 | 1.395 (7) |
C7—H7 | 0.9300 | C27—H27 | 0.9300 |
C8—C9 | 1.486 (6) | C28—H28 | 0.9300 |
C8—H8A | 0.9700 | ||
O1—Sn1—C8 | 109.63 (17) | C11—C10—H10 | 118.3 |
O1—Sn1—C1 | 111.86 (16) | C12—C11—C10 | 117.3 (7) |
C8—Sn1—C1 | 132.0 (2) | C12—C11—H11 | 121.4 |
O1—Sn1—Cl1 | 91.90 (8) | C10—C11—H11 | 121.4 |
C8—Sn1—Cl1 | 101.02 (14) | C13—C12—C11 | 121.6 (7) |
C1—Sn1—Cl1 | 100.62 (13) | C13—C12—H12 | 119.2 |
O1—Sn1—Cl2i | 74.74 (7) | C11—C12—H12 | 119.2 |
C8—Sn1—Cl2i | 85.12 (13) | C12—C13—C14 | 120.6 (7) |
C1—Sn1—Cl2i | 83.51 (13) | C12—C13—H13 | 119.7 |
Cl1—Sn1—Cl2i | 166.57 (4) | C14—C13—H13 | 119.7 |
O1i—Sn2—C22 | 115.25 (15) | F2'—C14—C13 | 129.0 (9) |
O1i—Sn2—C15 | 117.14 (14) | F2'—C14—C9 | 109.4 (8) |
C22—Sn2—C15 | 127.58 (17) | C13—C14—C9 | 121.3 (7) |
O1i—Sn2—O1 | 73.92 (11) | C13—C14—H14 | 119.3 |
C22—Sn2—O1 | 94.98 (13) | C9—C14—H14 | 119.3 |
C15—Sn2—O1 | 100.59 (14) | C16—C15—Sn2 | 115.5 (3) |
O1i—Sn2—Cl2 | 80.21 (7) | C16—C15—H15A | 108.4 |
C22—Sn2—Cl2 | 95.83 (12) | Sn2—C15—H15A | 108.4 |
C15—Sn2—Cl2 | 91.25 (12) | C16—C15—H15B | 108.4 |
O1—Sn2—Cl2 | 154.13 (7) | Sn2—C15—H15B | 108.4 |
Sn2—Cl2—Sn1i | 82.79 (3) | H15A—C15—H15B | 107.5 |
Sn1—O1—Sn2i | 122.25 (12) | C17—C16—C21 | 114.3 (4) |
Sn1—O1—Sn2 | 131.65 (12) | C17—C16—C15 | 121.9 (4) |
Sn2i—O1—Sn2 | 106.08 (10) | C21—C16—C15 | 123.8 (4) |
O2'—O2—H1 | 48.5 | F3—C17—C18 | 118.3 (4) |
O2'—O2—H2 | 53.0 | F3—C17—C16 | 117.0 (4) |
H1—O2—H2 | 95.2 | C18—C17—C16 | 124.7 (4) |
O2—O2'—H1 | 59.2 | C18—C17—H17 | 117.7 |
O2—O2'—H2 | 57.5 | C16—C17—H17 | 117.7 |
H1—O2'—H2 | 108.4 | C19—C18—C17 | 118.5 (5) |
C2—C1—Sn1 | 116.7 (3) | C19—C18—H18 | 120.7 |
C2—C1—H1A | 108.1 | C17—C18—H18 | 120.7 |
Sn1—C1—H1A | 108.1 | C20—C19—C18 | 119.5 (5) |
C2—C1—H1B | 108.1 | C20—C19—H19 | 120.2 |
Sn1—C1—H1B | 108.1 | C18—C19—H19 | 120.2 |
H1A—C1—H1B | 107.3 | C19—C20—C21 | 120.5 (5) |
C3—C2—C7 | 115.7 (5) | C19—C20—H20 | 119.7 |
C3—C2—C1 | 122.7 (5) | C21—C20—H20 | 119.7 |
C7—C2—C1 | 121.6 (5) | F3'—C21—C20 | 116.7 (12) |
F1—C3—C2 | 115.3 (6) | F3'—C21—C16 | 120.2 (11) |
F1—C3—C4 | 121.1 (7) | C20—C21—C16 | 122.5 (4) |
C2—C3—C4 | 123.6 (7) | C20—C21—H21 | 118.8 |
C2—C3—H3 | 118.2 | C16—C21—H21 | 118.8 |
C4—C3—H3 | 118.2 | C23—C22—Sn2 | 116.3 (3) |
C5—C4—C3 | 119.3 (7) | C23—C22—H22A | 108.2 |
C5—C4—H4 | 120.3 | Sn2—C22—H22A | 108.2 |
C3—C4—H4 | 120.3 | C23—C22—H22B | 108.2 |
C4—C5—C6 | 119.5 (6) | Sn2—C22—H22B | 108.2 |
C4—C5—H5 | 120.2 | H22A—C22—H22B | 107.4 |
C6—C5—H5 | 120.2 | C24—C23—C28 | 115.9 (4) |
C5—C6—C7 | 120.7 (7) | C24—C23—C22 | 121.6 (4) |
C5—C6—H6 | 119.7 | C28—C23—C22 | 122.5 (4) |
C7—C6—H6 | 119.7 | F4—C24—C23 | 116.0 (4) |
F1'—C7—C2 | 113.9 (9) | F4—C24—C25 | 119.7 (5) |
F1'—C7—C6 | 125.0 (10) | C23—C24—C25 | 124.3 (5) |
C2—C7—C6 | 121.1 (6) | C23—C24—H24 | 117.9 |
C2—C7—H7 | 119.4 | C25—C24—H24 | 117.9 |
C6—C7—H7 | 119.4 | C24—C25—C26 | 117.9 (5) |
C9—C8—Sn1 | 114.4 (3) | C24—C25—H25 | 121.0 |
C9—C8—H8A | 108.7 | C26—C25—H25 | 121.0 |
Sn1—C8—H8A | 108.7 | C27—C26—C25 | 120.4 (5) |
C9—C8—H8B | 108.7 | C27—C26—H26 | 119.8 |
Sn1—C8—H8B | 108.7 | C25—C26—H26 | 119.8 |
H8A—C8—H8B | 107.6 | C26—C27—C28 | 120.4 (5) |
C10—C9—C14 | 115.9 (5) | C26—C27—H27 | 119.8 |
C10—C9—C8 | 122.2 (5) | C28—C27—H27 | 119.8 |
C14—C9—C8 | 121.9 (5) | F4'—C28—C23 | 113.9 (14) |
C9—C10—F2 | 113.6 (5) | F4'—C28—C27 | 124.2 (13) |
C9—C10—C11 | 123.3 (6) | C23—C28—C27 | 121.0 (5) |
F2—C10—C11 | 123.1 (7) | C23—C28—H28 | 119.5 |
C9—C10—H10 | 118.3 | C27—C28—H28 | 119.5 |
Symmetry code: (i) −x+1, −y+1, −z+1. |