Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804006658/hg6024sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804006658/hg6024Isup2.hkl |
CCDC reference: 238676
Data collection: SMART (Bruker, 1999); cell refinement: SMART; data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXTL (Sheldrick, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Sn4(C6H5)8Cl4O2]·CH2Cl2 | F(000) = 2616 |
Mr = 1350.29 | Dx = 1.784 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 6333 reflections |
a = 11.694 (1) Å | θ = 2.3–25.0° |
b = 23.256 (1) Å | µ = 2.32 mm−1 |
c = 18.805 (1) Å | T = 293 K |
β = 100.565 (1)° | Prism, colorless |
V = 5027.4 (6) Å3 | 0.24 × 0.17 × 0.11 mm |
Z = 4 |
Bruker Smart APEX CCD diffractometer | 8864 independent reflections |
Radiation source: fine-focus sealed tube | 6043 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.072 |
Detector resolution: 0.661 pixels mm-1 | θmax = 25.0°, θmin = 1.4° |
ω scans | h = −13→13 |
Absorption correction: analytical face-indexed (XPREP in SAINT V 6.23C; Bruker, 1999) | k = −27→27 |
Tmin = 0.758, Tmax = 0.878 | l = −22→22 |
40974 measured reflections |
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)] = 0.033 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.057 | H-atom parameters constrained |
S = 0.98 | w = 1/[σ2(Fo2) + (0.0005P)2] where P = (Fo2 + 2Fc2)/3 |
8864 reflections | (Δ/σ)max = 0.012 |
559 parameters | Δρmax = 0.57 e Å−3 |
0 restraints | Δρmin = −0.50 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 | 0.46228 (3) | 0.213564 (15) | 0.783432 (16) | 0.04067 (10) | |
Sn3 | 0.45723 (3) | 0.059455 (15) | 0.785722 (17) | 0.04190 (10) | |
Sn2 | 0.30972 (3) | 0.156613 (15) | 0.633687 (16) | 0.04029 (10) | |
Sn4 | 0.32186 (3) | 0.311113 (15) | 0.633584 (17) | 0.04263 (10) | |
Cl1 | 0.55870 (11) | 0.13667 (6) | 0.88340 (6) | 0.0547 (3) | |
Cl2 | 0.21435 (11) | 0.23268 (6) | 0.53509 (6) | 0.0537 (3) | |
Cl4 | 0.43779 (11) | 0.35318 (6) | 0.74221 (6) | 0.0569 (4) | |
Cl3 | 0.34626 (11) | 0.01633 (6) | 0.67575 (6) | 0.0551 (4) | |
O1 | 0.4127 (2) | 0.13587 (12) | 0.73591 (13) | 0.0379 (7) | |
O2 | 0.3620 (2) | 0.23388 (12) | 0.68153 (13) | 0.0385 (8) | |
C1 | 0.3526 (4) | 0.24005 (19) | 0.8541 (2) | 0.0397 (12) | |
C2 | 0.3972 (5) | 0.2477 (2) | 0.9277 (3) | 0.0632 (16) | |
H2 | 0.4760 | 0.2419 | 0.9450 | 0.080* | |
C3 | 0.3257 (6) | 0.2636 (3) | 0.9745 (3) | 0.082 (2) | |
H3 | 0.3566 | 0.2682 | 1.0233 | 0.080* | |
C4 | 0.2106 (6) | 0.2728 (3) | 0.9506 (3) | 0.084 (2) | |
H4 | 0.1624 | 0.2835 | 0.9826 | 0.080* | |
C5 | 0.1672 (5) | 0.2660 (3) | 0.8790 (3) | 0.094 (2) | |
H5 | 0.0885 | 0.2727 | 0.8620 | 0.080* | |
C6 | 0.2372 (5) | 0.2495 (2) | 0.8309 (3) | 0.0655 (17) | |
H6 | 0.2050 | 0.2448 | 0.7822 | 0.080* | |
C7 | 0.6293 (4) | 0.2356 (2) | 0.7670 (2) | 0.0406 (12) | |
C8 | 0.7146 (5) | 0.2519 (3) | 0.8231 (3) | 0.081 (2) | |
H8 | 0.6975 | 0.2542 | 0.8694 | 0.080* | |
C9 | 0.8247 (6) | 0.2651 (3) | 0.8129 (4) | 0.108 (3) | |
H9 | 0.8811 | 0.2767 | 0.8517 | 0.080* | |
C10 | 0.8505 (5) | 0.2610 (3) | 0.7455 (4) | 0.092 (2) | |
H10 | 0.9259 | 0.2683 | 0.7384 | 0.080* | |
C11 | 0.7673 (6) | 0.2464 (3) | 0.6887 (4) | 0.101 (2) | |
H11 | 0.7843 | 0.2445 | 0.6424 | 0.080* | |
C12 | 0.6570 (5) | 0.2343 (3) | 0.7002 (3) | 0.0702 (18) | |
H12 | 0.5996 | 0.2249 | 0.6608 | 0.080* | |
C13 | 0.4205 (4) | 0.1275 (2) | 0.5645 (2) | 0.0431 (12) | |
C14 | 0.5282 (4) | 0.1052 (2) | 0.5918 (3) | 0.0568 (15) | |
H14 | 0.5540 | 0.1053 | 0.6416 | 0.080* | |
C15 | 0.5991 (5) | 0.0828 (3) | 0.5480 (3) | 0.0743 (18) | |
H15 | 0.6712 | 0.0675 | 0.5683 | 0.080* | |
C16 | 0.5638 (6) | 0.0831 (3) | 0.4751 (4) | 0.087 (2) | |
H16 | 0.6114 | 0.0679 | 0.4452 | 0.080* | |
C17 | 0.4575 (6) | 0.1059 (3) | 0.4459 (3) | 0.088 (2) | |
H17 | 0.4339 | 0.1060 | 0.3959 | 0.080* | |
C18 | 0.3844 (5) | 0.1288 (3) | 0.4882 (3) | 0.0709 (18) | |
H18 | 0.3132 | 0.1447 | 0.4674 | 0.080* | |
C19 | 0.1441 (4) | 0.1345 (2) | 0.6552 (2) | 0.0412 (12) | |
C20 | 0.0457 (4) | 0.1339 (2) | 0.6013 (3) | 0.0655 (16) | |
H20 | 0.0518 | 0.1437 | 0.5542 | 0.080* | |
C21 | −0.0603 (5) | 0.1192 (3) | 0.6169 (3) | 0.086 (2) | |
H21 | −0.1252 | 0.1186 | 0.5799 | 0.080* | |
C22 | −0.0725 (5) | 0.1054 (3) | 0.6853 (3) | 0.0767 (18) | |
H22 | −0.1453 | 0.0962 | 0.6955 | 0.080* | |
C23 | 0.0236 (5) | 0.1052 (2) | 0.7392 (3) | 0.0685 (17) | |
H23 | 0.0167 | 0.0948 | 0.7860 | 0.080* | |
C24 | 0.1311 (4) | 0.1202 (2) | 0.7242 (3) | 0.0551 (15) | |
H24 | 0.1956 | 0.1207 | 0.7614 | 0.080* | |
C25 | 0.3514 (4) | 0.0301 (2) | 0.8577 (2) | 0.0434 (12) | |
C26 | 0.2485 (4) | 0.0007 (2) | 0.8341 (3) | 0.0520 (14) | |
H26 | 0.2240 | −0.0043 | 0.7846 | 0.080* | |
C27 | 0.1807 (4) | −0.0215 (2) | 0.8796 (3) | 0.0543 (14) | |
H27 | 0.1119 | −0.0407 | 0.8612 | 0.080* | |
C28 | 0.2163 (5) | −0.0147 (2) | 0.9536 (3) | 0.0649 (16) | |
H28 | 0.1714 | −0.0293 | 0.9855 | 0.080* | |
C29 | 0.3178 (5) | 0.0136 (2) | 0.9794 (3) | 0.0697 (17) | |
H29 | 0.3420 | 0.0181 | 1.0290 | 0.080* | |
C30 | 0.3841 (4) | 0.0355 (2) | 0.9333 (3) | 0.0610 (15) | |
H30 | 0.4529 | 0.0546 | 0.9523 | 0.080* | |
C31 | 0.6235 (4) | 0.0268 (2) | 0.7772 (2) | 0.0418 (12) | |
C32 | 0.6389 (4) | −0.0062 (2) | 0.7187 (3) | 0.0552 (14) | |
H32 | 0.5768 | −0.0106 | 0.6804 | 0.080* | |
C33 | 0.7438 (5) | −0.0332 (2) | 0.7150 (3) | 0.0680 (16) | |
H33 | 0.7524 | −0.0543 | 0.6744 | 0.080* | |
C34 | 0.8350 (5) | −0.0279 (2) | 0.7729 (3) | 0.0729 (18) | |
H34 | 0.9044 | −0.0472 | 0.7724 | 0.080* | |
C35 | 0.8237 (4) | 0.0053 (2) | 0.8302 (3) | 0.0638 (16) | |
H35 | 0.8868 | 0.0103 | 0.8678 | 0.080* | |
C36 | 0.7186 (4) | 0.0320 (2) | 0.8334 (3) | 0.0544 (14) | |
H36 | 0.7116 | 0.0538 | 0.8739 | 0.080* | |
C37 | 0.1575 (4) | 0.3434 (2) | 0.6455 (2) | 0.0426 (12) | |
C38 | 0.1385 (4) | 0.3654 (2) | 0.7100 (3) | 0.0536 (14) | |
H38 | 0.1989 | 0.3655 | 0.7498 | 0.080* | |
C39 | 0.0326 (5) | 0.3873 (2) | 0.7170 (3) | 0.0590 (15) | |
H39 | 0.0226 | 0.4027 | 0.7611 | 0.080* | |
C40 | −0.0588 (5) | 0.3867 (2) | 0.6601 (3) | 0.0680 (17) | |
H40 | −0.1311 | 0.4009 | 0.6655 | 0.080* | |
C41 | −0.0425 (5) | 0.3650 (3) | 0.5954 (3) | 0.0746 (18) | |
H41 | −0.1041 | 0.3643 | 0.5564 | 0.080* | |
C42 | 0.0647 (5) | 0.3440 (2) | 0.5875 (3) | 0.0640 (16) | |
H42 | 0.0752 | 0.3302 | 0.5427 | 0.080* | |
C43 | 0.4265 (4) | 0.3371 (2) | 0.5586 (2) | 0.0426 (12) | |
C44 | 0.5375 (4) | 0.3561 (2) | 0.5816 (3) | 0.0592 (15) | |
H44 | 0.5691 | 0.3555 | 0.6308 | 0.080* | |
C45 | 0.6033 (5) | 0.3759 (3) | 0.5332 (3) | 0.084 (2) | |
H45 | 0.6781 | 0.3896 | 0.5500 | 0.080* | |
C46 | 0.5597 (6) | 0.3758 (3) | 0.4607 (3) | 0.086 (2) | |
H46 | 0.6055 | 0.3882 | 0.4281 | 0.080* | |
C47 | 0.4510 (6) | 0.3576 (3) | 0.4366 (3) | 0.0764 (19) | |
H47 | 0.4211 | 0.3581 | 0.3873 | 0.080* | |
C48 | 0.3818 (5) | 0.3377 (2) | 0.4846 (3) | 0.0627 (16) | |
H48 | 0.3064 | 0.3250 | 0.4673 | 0.080* | |
C49 | 0.4561 (7) | 0.4593 (4) | 0.8922 (4) | 0.129 (3) | |
H49A | 0.4224 | 0.4963 | 0.9001 | 0.080* | 0.852 (5) |
H49B | 0.4572 | 0.4561 | 0.8409 | 0.080* | 0.852 (5) |
H49C | 0.4890 | 0.4962 | 0.8853 | 0.080* | 0.148 (5) |
H49D | 0.4047 | 0.4489 | 0.8482 | 0.080* | 0.148 (5) |
Cl5A | 0.3685 (2) | 0.40753 (12) | 0.91460 (12) | 0.1211 (13) | 0.852 (5) |
Cl6A | 0.6011 (3) | 0.45829 (17) | 0.93955 (16) | 0.1507 (15) | 0.852 (5) |
Cl6B | 0.388 (3) | 0.4635 (16) | 0.9591 (18) | 0.317 (18)* | 0.148 (5) |
Cl5B | 0.5754 (15) | 0.4065 (9) | 0.9131 (9) | 0.142 (7)* | 0.148 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.0350 (2) | 0.0522 (2) | 0.0333 (2) | −0.00208 (17) | 0.00232 (15) | −0.00345 (16) |
Sn3 | 0.0394 (2) | 0.0456 (2) | 0.0414 (2) | 0.00441 (17) | 0.00927 (16) | 0.00353 (17) |
Sn2 | 0.0358 (2) | 0.0509 (2) | 0.03351 (19) | −0.00372 (16) | 0.00484 (15) | −0.00479 (16) |
Sn4 | 0.0404 (2) | 0.0465 (2) | 0.0406 (2) | 0.00087 (17) | 0.00654 (16) | 0.00438 (17) |
Cl1 | 0.0584 (9) | 0.0538 (9) | 0.0488 (8) | 0.0024 (7) | 0.0021 (6) | 0.0033 (7) |
Cl2 | 0.0547 (8) | 0.0578 (9) | 0.0449 (7) | −0.0036 (7) | −0.0006 (6) | 0.0039 (7) |
Cl4 | 0.0589 (9) | 0.0603 (10) | 0.0484 (8) | −0.0094 (7) | 0.0018 (6) | −0.0048 (7) |
Cl3 | 0.0541 (8) | 0.0595 (9) | 0.0504 (8) | −0.0029 (7) | 0.0065 (6) | −0.0071 (7) |
O1 | 0.0410 (18) | 0.0407 (19) | 0.0295 (16) | 0.0013 (15) | −0.0002 (14) | 0.0025 (15) |
O2 | 0.0419 (19) | 0.043 (2) | 0.0284 (16) | −0.0007 (16) | −0.0001 (14) | 0.0042 (15) |
C1 | 0.041 (3) | 0.045 (3) | 0.032 (3) | 0.003 (2) | 0.004 (2) | 0.001 (2) |
C2 | 0.057 (4) | 0.085 (5) | 0.047 (3) | 0.015 (3) | 0.007 (3) | −0.006 (3) |
C3 | 0.103 (6) | 0.096 (5) | 0.047 (4) | 0.023 (4) | 0.013 (4) | −0.013 (3) |
C4 | 0.088 (5) | 0.110 (6) | 0.062 (4) | 0.025 (4) | 0.040 (4) | −0.002 (4) |
C5 | 0.046 (4) | 0.152 (7) | 0.088 (5) | 0.023 (4) | 0.020 (4) | −0.006 (5) |
C6 | 0.048 (4) | 0.094 (5) | 0.054 (3) | 0.003 (3) | 0.005 (3) | −0.004 (3) |
C7 | 0.032 (3) | 0.050 (3) | 0.038 (3) | −0.002 (2) | 0.002 (2) | 0.003 (3) |
C8 | 0.061 (4) | 0.123 (6) | 0.055 (4) | −0.024 (4) | 0.004 (3) | −0.002 (4) |
C9 | 0.057 (5) | 0.173 (8) | 0.086 (5) | −0.054 (5) | −0.005 (4) | 0.002 (5) |
C10 | 0.044 (4) | 0.111 (6) | 0.124 (6) | −0.007 (4) | 0.023 (4) | 0.020 (5) |
C11 | 0.077 (5) | 0.151 (7) | 0.082 (5) | −0.010 (5) | 0.036 (4) | 0.003 (5) |
C12 | 0.045 (4) | 0.111 (5) | 0.054 (4) | −0.018 (3) | 0.007 (3) | −0.004 (4) |
C13 | 0.040 (3) | 0.048 (3) | 0.042 (3) | −0.003 (2) | 0.011 (2) | −0.008 (2) |
C14 | 0.054 (4) | 0.065 (4) | 0.054 (3) | 0.003 (3) | 0.018 (3) | 0.001 (3) |
C15 | 0.059 (4) | 0.094 (5) | 0.079 (4) | 0.004 (3) | 0.037 (4) | 0.000 (4) |
C16 | 0.084 (5) | 0.100 (6) | 0.093 (5) | 0.004 (4) | 0.059 (4) | −0.023 (4) |
C17 | 0.098 (6) | 0.122 (6) | 0.050 (4) | 0.005 (5) | 0.027 (4) | −0.034 (4) |
C18 | 0.062 (4) | 0.107 (5) | 0.044 (3) | 0.002 (4) | 0.009 (3) | −0.023 (3) |
C19 | 0.038 (3) | 0.046 (3) | 0.038 (3) | −0.001 (2) | 0.005 (2) | −0.002 (2) |
C20 | 0.046 (3) | 0.093 (5) | 0.055 (3) | −0.020 (3) | 0.002 (3) | 0.012 (3) |
C21 | 0.043 (4) | 0.134 (6) | 0.076 (4) | −0.021 (4) | 0.001 (3) | 0.033 (4) |
C22 | 0.043 (4) | 0.098 (5) | 0.092 (5) | −0.010 (3) | 0.020 (4) | 0.011 (4) |
C23 | 0.062 (4) | 0.085 (5) | 0.064 (4) | −0.004 (3) | 0.026 (3) | 0.012 (3) |
C24 | 0.043 (3) | 0.080 (4) | 0.043 (3) | −0.003 (3) | 0.011 (3) | 0.002 (3) |
C25 | 0.039 (3) | 0.042 (3) | 0.048 (3) | 0.003 (2) | 0.005 (2) | 0.003 (3) |
C26 | 0.060 (4) | 0.046 (3) | 0.051 (3) | 0.002 (3) | 0.011 (3) | −0.001 (3) |
C27 | 0.049 (3) | 0.051 (4) | 0.065 (4) | −0.006 (3) | 0.020 (3) | 0.000 (3) |
C28 | 0.070 (4) | 0.057 (4) | 0.078 (4) | −0.005 (3) | 0.040 (4) | 0.007 (3) |
C29 | 0.075 (4) | 0.089 (5) | 0.048 (3) | −0.010 (4) | 0.019 (3) | 0.010 (3) |
C30 | 0.053 (4) | 0.076 (4) | 0.054 (4) | −0.010 (3) | 0.011 (3) | 0.006 (3) |
C31 | 0.042 (3) | 0.045 (3) | 0.039 (3) | 0.004 (2) | 0.010 (2) | 0.005 (2) |
C32 | 0.048 (3) | 0.056 (4) | 0.064 (4) | −0.001 (3) | 0.015 (3) | −0.005 (3) |
C33 | 0.057 (4) | 0.075 (4) | 0.076 (4) | 0.002 (3) | 0.023 (3) | −0.009 (3) |
C34 | 0.048 (4) | 0.068 (4) | 0.105 (5) | 0.023 (3) | 0.021 (4) | 0.001 (4) |
C35 | 0.044 (3) | 0.077 (4) | 0.070 (4) | 0.015 (3) | 0.008 (3) | 0.008 (3) |
C36 | 0.051 (3) | 0.061 (4) | 0.053 (3) | 0.008 (3) | 0.014 (3) | 0.005 (3) |
C37 | 0.043 (3) | 0.046 (3) | 0.039 (3) | 0.003 (2) | 0.009 (2) | 0.006 (2) |
C38 | 0.055 (4) | 0.053 (4) | 0.054 (3) | −0.002 (3) | 0.013 (3) | −0.007 (3) |
C39 | 0.057 (4) | 0.060 (4) | 0.065 (4) | 0.007 (3) | 0.025 (3) | −0.018 (3) |
C40 | 0.055 (4) | 0.059 (4) | 0.093 (5) | 0.014 (3) | 0.021 (4) | −0.004 (4) |
C41 | 0.055 (4) | 0.090 (5) | 0.074 (4) | 0.019 (4) | −0.002 (3) | −0.005 (4) |
C42 | 0.055 (4) | 0.090 (5) | 0.046 (3) | 0.017 (3) | 0.005 (3) | −0.001 (3) |
C43 | 0.039 (3) | 0.046 (3) | 0.042 (3) | 0.000 (2) | 0.006 (2) | 0.008 (2) |
C44 | 0.043 (3) | 0.081 (4) | 0.052 (3) | −0.010 (3) | 0.008 (3) | 0.003 (3) |
C45 | 0.050 (4) | 0.129 (6) | 0.075 (4) | −0.028 (4) | 0.013 (3) | 0.002 (4) |
C46 | 0.086 (5) | 0.103 (6) | 0.077 (5) | −0.028 (4) | 0.042 (4) | 0.003 (4) |
C47 | 0.098 (5) | 0.087 (5) | 0.047 (4) | −0.019 (4) | 0.020 (4) | 0.008 (3) |
C48 | 0.056 (4) | 0.083 (5) | 0.046 (3) | −0.014 (3) | 0.004 (3) | 0.006 (3) |
C49 | 0.133 (8) | 0.169 (9) | 0.084 (5) | 0.027 (7) | 0.022 (5) | −0.005 (6) |
Cl5A | 0.150 (3) | 0.116 (2) | 0.0937 (18) | 0.0024 (18) | 0.0140 (15) | 0.0075 (15) |
Cl6A | 0.131 (2) | 0.182 (4) | 0.155 (3) | 0.021 (2) | 0.070 (2) | 0.032 (2) |
Sn1—O1 | 2.052 (3) | C21—H21 | 0.9300 |
Sn1—C7 | 2.096 (4) | C22—C23 | 1.368 (6) |
Sn1—C1 | 2.101 (4) | C22—H22 | 0.9300 |
Sn1—O2 | 2.109 (2) | C23—C24 | 1.382 (6) |
Sn1—Cl1 | 2.6881 (12) | C23—H23 | 0.9300 |
Sn3—O1 | 2.032 (3) | C24—H24 | 0.9300 |
Sn3—C25 | 2.108 (5) | C25—C26 | 1.385 (6) |
Sn3—C31 | 2.121 (5) | C25—C30 | 1.408 (6) |
Sn3—Cl3 | 2.4460 (12) | C26—C27 | 1.369 (6) |
Sn3—Cl1 | 2.6847 (13) | C26—H26 | 0.9300 |
Sn2—O2 | 2.052 (3) | C27—C28 | 1.387 (6) |
Sn2—C13 | 2.109 (4) | C27—H27 | 0.9300 |
Sn2—C19 | 2.114 (4) | C28—C29 | 1.367 (7) |
Sn2—O1 | 2.128 (2) | C28—H28 | 0.9300 |
Sn2—Cl2 | 2.6557 (12) | C29—C30 | 1.363 (6) |
Sn4—O2 | 2.026 (3) | C29—H29 | 0.9300 |
Sn4—C37 | 2.114 (5) | C30—H30 | 0.9300 |
Sn4—C43 | 2.118 (5) | C31—C32 | 1.379 (6) |
Sn4—Cl4 | 2.4397 (12) | C31—C36 | 1.392 (6) |
Sn4—Cl2 | 2.7358 (12) | C32—C33 | 1.391 (6) |
C1—C6 | 1.357 (6) | C32—H32 | 0.9300 |
C1—C2 | 1.398 (6) | C33—C34 | 1.383 (6) |
C2—C3 | 1.372 (7) | C33—H33 | 0.9300 |
C2—H2 | 0.9300 | C34—C35 | 1.352 (7) |
C3—C4 | 1.355 (7) | C34—H34 | 0.9300 |
C3—H3 | 0.9300 | C35—C36 | 1.388 (6) |
C4—C5 | 1.358 (7) | C35—H35 | 0.9300 |
C4—H4 | 0.9300 | C36—H36 | 0.9300 |
C5—C6 | 1.382 (7) | C37—C38 | 1.372 (6) |
C5—H5 | 0.9300 | C37—C42 | 1.390 (6) |
C6—H6 | 0.9300 | C38—C39 | 1.367 (6) |
C7—C12 | 1.353 (6) | C38—H38 | 0.9300 |
C7—C8 | 1.366 (6) | C39—C40 | 1.367 (6) |
C8—C9 | 1.370 (8) | C39—H39 | 0.9300 |
C8—H8 | 0.9300 | C40—C41 | 1.363 (7) |
C9—C10 | 1.360 (8) | C40—H40 | 0.9300 |
C9—H9 | 0.9300 | C41—C42 | 1.379 (7) |
C10—C11 | 1.350 (7) | C41—H41 | 0.9300 |
C10—H10 | 0.9300 | C42—H42 | 0.9300 |
C11—C12 | 1.375 (7) | C43—C44 | 1.363 (6) |
C11—H11 | 0.9300 | C43—C48 | 1.394 (6) |
C12—H12 | 0.9300 | C44—C45 | 1.375 (7) |
C13—C14 | 1.371 (6) | C44—H44 | 0.9300 |
C13—C18 | 1.420 (6) | C45—C46 | 1.366 (7) |
C14—C15 | 1.374 (7) | C45—H45 | 0.9300 |
C14—H14 | 0.9300 | C46—C47 | 1.338 (7) |
C15—C16 | 1.359 (7) | C46—H46 | 0.9300 |
C15—H15 | 0.9300 | C47—C48 | 1.396 (7) |
C16—C17 | 1.371 (7) | C47—H47 | 0.9300 |
C16—H16 | 0.9300 | C48—H48 | 0.9300 |
C17—C18 | 1.377 (7) | C49—Cl6B | 1.61 (3) |
C17—H17 | 0.9300 | C49—Cl5A | 1.683 (8) |
C18—H18 | 0.9300 | C49—Cl6A | 1.765 (7) |
C19—C24 | 1.375 (6) | C49—Cl5B | 1.85 (2) |
C19—C20 | 1.386 (6) | C49—H49A | 0.9700 |
C20—C21 | 1.369 (6) | C49—H49B | 0.9700 |
C20—H20 | 0.9300 | C49—H49C | 0.9599 |
C21—C22 | 1.359 (7) | C49—H49D | 0.9599 |
O1—Sn1—C7 | 110.32 (15) | C17—C18—H18 | 120.8 |
O1—Sn1—C1 | 112.16 (15) | C13—C18—H18 | 120.8 |
C7—Sn1—C1 | 135.65 (18) | C24—C19—C20 | 117.9 (5) |
O1—Sn1—O2 | 74.68 (10) | C24—C19—Sn2 | 120.2 (3) |
C7—Sn1—O2 | 100.92 (14) | C20—C19—Sn2 | 122.0 (3) |
C1—Sn1—O2 | 101.91 (14) | C21—C20—C19 | 120.6 (5) |
O1—Sn1—Cl1 | 76.56 (7) | C21—C20—H20 | 119.7 |
C7—Sn1—Cl1 | 89.02 (12) | C19—C20—H20 | 119.7 |
C1—Sn1—Cl1 | 88.82 (12) | C22—C21—C20 | 121.2 (5) |
O2—Sn1—Cl1 | 151.24 (8) | C22—C21—H21 | 119.4 |
O1—Sn3—C25 | 116.64 (14) | C20—C21—H21 | 119.4 |
O1—Sn3—C31 | 116.02 (14) | C21—C22—C23 | 119.1 (5) |
C25—Sn3—C31 | 125.97 (17) | C21—C22—H22 | 120.4 |
O1—Sn3—Cl3 | 85.26 (8) | C23—C22—H22 | 120.4 |
C25—Sn3—Cl3 | 97.32 (13) | C22—C23—C24 | 120.2 (5) |
C31—Sn3—Cl3 | 98.11 (13) | C22—C23—H23 | 119.9 |
O1—Sn3—Cl1 | 76.94 (8) | C24—C23—H23 | 119.9 |
C25—Sn3—Cl1 | 90.86 (13) | C19—C24—C23 | 121.0 (5) |
C31—Sn3—Cl1 | 89.70 (13) | C19—C24—H24 | 119.5 |
Cl3—Sn3—Cl1 | 162.21 (4) | C23—C24—H24 | 119.5 |
O2—Sn2—C13 | 112.58 (15) | C26—C25—C30 | 115.3 (5) |
O2—Sn2—C19 | 109.83 (14) | C26—C25—Sn3 | 122.1 (4) |
C13—Sn2—C19 | 136.73 (17) | C30—C25—Sn3 | 122.4 (4) |
O2—Sn2—O1 | 74.26 (10) | C27—C26—C25 | 123.6 (5) |
C13—Sn2—O1 | 100.04 (15) | C27—C26—H26 | 118.2 |
C19—Sn2—O1 | 99.14 (14) | C25—C26—H26 | 118.2 |
O2—Sn2—Cl2 | 77.06 (7) | C26—C27—C28 | 118.9 (5) |
C13—Sn2—Cl2 | 90.56 (13) | C26—C27—H27 | 120.6 |
C19—Sn2—Cl2 | 90.78 (12) | C28—C27—H27 | 120.6 |
O1—Sn2—Cl2 | 151.31 (8) | C29—C28—C27 | 119.4 (5) |
O2—Sn4—C37 | 114.11 (14) | C29—C28—H28 | 120.3 |
O2—Sn4—C43 | 115.76 (15) | C27—C28—H28 | 120.3 |
C37—Sn4—C43 | 128.11 (17) | C30—C29—C28 | 120.9 (5) |
O2—Sn4—Cl4 | 86.28 (8) | C30—C29—H29 | 119.5 |
C37—Sn4—Cl4 | 98.36 (13) | C28—C29—H29 | 119.5 |
C43—Sn4—Cl4 | 98.20 (13) | C29—C30—C25 | 121.8 (5) |
O2—Sn4—Cl2 | 75.54 (8) | C29—C30—H30 | 119.1 |
C37—Sn4—Cl2 | 89.69 (13) | C25—C30—H30 | 119.1 |
C43—Sn4—Cl2 | 89.40 (13) | C32—C31—C36 | 116.8 (4) |
Cl4—Sn4—Cl2 | 161.82 (4) | C32—C31—Sn3 | 121.0 (4) |
Sn3—Cl1—Sn1 | 83.71 (3) | C36—C31—Sn3 | 121.8 (3) |
Sn2—Cl2—Sn4 | 83.65 (3) | C31—C32—C33 | 122.4 (5) |
Sn3—O1—Sn1 | 122.78 (12) | C31—C32—H32 | 118.8 |
Sn3—O1—Sn2 | 132.02 (14) | C33—C32—H32 | 118.8 |
Sn1—O1—Sn2 | 105.17 (12) | C34—C33—C32 | 118.7 (5) |
Sn4—O2—Sn2 | 123.73 (12) | C34—C33—H33 | 120.7 |
Sn4—O2—Sn1 | 130.38 (14) | C32—C33—H33 | 120.7 |
Sn2—O2—Sn1 | 105.88 (12) | C35—C34—C33 | 120.3 (5) |
C6—C1—C2 | 117.8 (5) | C35—C34—H34 | 119.8 |
C6—C1—Sn1 | 122.0 (4) | C33—C34—H34 | 119.8 |
C2—C1—Sn1 | 120.2 (4) | C34—C35—C36 | 120.4 (5) |
C3—C2—C1 | 120.6 (5) | C34—C35—H35 | 119.8 |
C3—C2—H2 | 119.7 | C36—C35—H35 | 119.8 |
C1—C2—H2 | 119.7 | C35—C36—C31 | 121.2 (5) |
C4—C3—C2 | 121.0 (5) | C35—C36—H36 | 119.4 |
C4—C3—H3 | 119.5 | C31—C36—H36 | 119.4 |
C2—C3—H3 | 119.5 | C38—C37—C42 | 117.5 (5) |
C3—C4—C5 | 118.5 (6) | C38—C37—Sn4 | 121.6 (4) |
C3—C4—H4 | 120.7 | C42—C37—Sn4 | 120.9 (4) |
C5—C4—H4 | 120.7 | C39—C38—C37 | 121.3 (5) |
C4—C5—C6 | 121.5 (6) | C39—C38—H38 | 119.3 |
C4—C5—H5 | 119.2 | C37—C38—H38 | 119.3 |
C6—C5—H5 | 119.2 | C38—C39—C40 | 120.9 (5) |
C1—C6—C5 | 120.5 (5) | C38—C39—H39 | 119.5 |
C1—C6—H6 | 119.7 | C40—C39—H39 | 119.5 |
C5—C6—H6 | 119.7 | C41—C40—C39 | 119.0 (5) |
C12—C7—C8 | 117.2 (5) | C41—C40—H40 | 120.5 |
C12—C7—Sn1 | 121.3 (4) | C39—C40—H40 | 120.5 |
C8—C7—Sn1 | 121.5 (4) | C40—C41—C42 | 120.5 (5) |
C7—C8—C9 | 121.7 (6) | C40—C41—H41 | 119.8 |
C7—C8—H8 | 119.1 | C42—C41—H41 | 119.8 |
C9—C8—H8 | 119.1 | C41—C42—C37 | 120.8 (5) |
C10—C9—C8 | 119.4 (6) | C41—C42—H42 | 119.6 |
C10—C9—H9 | 120.3 | C37—C42—H42 | 119.6 |
C8—C9—H9 | 120.3 | C44—C43—C48 | 118.4 (5) |
C11—C10—C9 | 120.2 (6) | C44—C43—Sn4 | 120.9 (4) |
C11—C10—H10 | 119.9 | C48—C43—Sn4 | 120.7 (4) |
C9—C10—H10 | 119.9 | C43—C44—C45 | 120.9 (5) |
C10—C11—C12 | 119.3 (6) | C43—C44—H44 | 119.6 |
C10—C11—H11 | 120.4 | C45—C44—H44 | 119.6 |
C12—C11—H11 | 120.4 | C46—C45—C44 | 120.6 (5) |
C7—C12—C11 | 122.2 (5) | C46—C45—H45 | 119.7 |
C7—C12—H12 | 118.9 | C44—C45—H45 | 119.7 |
C11—C12—H12 | 118.9 | C47—C46—C45 | 119.7 (6) |
C14—C13—C18 | 118.0 (5) | C47—C46—H46 | 120.1 |
C14—C13—Sn2 | 121.1 (3) | C45—C46—H46 | 120.1 |
C18—C13—Sn2 | 120.9 (4) | C46—C47—C48 | 120.9 (5) |
C13—C14—C15 | 122.2 (5) | C46—C47—H47 | 119.6 |
C13—C14—H14 | 118.9 | C48—C47—H47 | 119.6 |
C15—C14—H14 | 118.9 | C43—C48—C47 | 119.5 (5) |
C16—C15—C14 | 119.9 (6) | C43—C48—H48 | 120.2 |
C16—C15—H15 | 120.0 | C47—C48—H48 | 120.2 |
C14—C15—H15 | 120.0 | Cl5A—C49—Cl6A | 115.9 (5) |
C15—C16—C17 | 119.4 (6) | Cl6B—C49—Cl5B | 109.8 (14) |
C15—C16—H16 | 120.3 | H49A—C49—H49B | 107.4 |
C17—C16—H16 | 120.3 | Cl6B—C49—H49C | 108.7 |
C16—C17—C18 | 122.1 (6) | Cl5B—C49—H49C | 108.5 |
C16—C17—H17 | 118.9 | Cl6B—C49—H49D | 111.4 |
C18—C17—H17 | 118.9 | Cl5B—C49—H49D | 110.2 |
C17—C18—C13 | 118.4 (5) | H49C—C49—H49D | 108.1 |