Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680501617X/bh6007sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680501617X/bh6007Isup2.hkl |
CCDC reference: 260863
Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Bruker, 2002); software used to prepare material for publication: SHELXL97.
[Sn(C6H11)3(C14H11O2)] | Z = 2 |
Mr = 579.36 | F(000) = 604 |
Triclinic, P1 | Dx = 1.345 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.3181 (12) Å | Cell parameters from 885 reflections |
b = 11.6211 (15) Å | θ = 3.0–22.9° |
c = 13.9327 (18) Å | µ = 0.92 mm−1 |
α = 87.052 (2)° | T = 295 K |
β = 76.227 (2)° | Block, colourless |
γ = 77.460 (2)° | 0.32 × 0.22 × 0.15 mm |
V = 1430.4 (3) Å3 |
Bruker SMART APEX area-detector diffractometer | 5165 independent reflections |
Radiation source: fine-focus sealed tube | 4834 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.018 |
φ and ω scans | θmax = 25.5°, θmin = 1.5° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −11→11 |
Tmin = 0.758, Tmax = 0.875 | k = −14→9 |
7734 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)] = 0.030 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.081 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0418P)2 + 0.6525P] where P = (Fo2 + 2Fc2)/3 |
5165 reflections | (Δ/σ)max = 0.002 |
316 parameters | Δρmax = 0.93 e Å−3 |
0 restraints | Δρmin = −0.65 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 | 1.07467 (2) | 0.213603 (15) | 0.740839 (12) | 0.04818 (8) | |
O1 | 0.8739 (2) | 0.22157 (18) | 0.69628 (15) | 0.0595 (5) | |
O2 | 0.8168 (3) | 0.4063 (2) | 0.7445 (2) | 0.0767 (6) | |
C1 | 1.1726 (3) | 0.0357 (2) | 0.6862 (2) | 0.0528 (6) | |
H1 | 1.1146 | −0.0164 | 0.7286 | 0.063* | |
C2 | 1.1583 (5) | 0.0205 (3) | 0.5821 (3) | 0.0821 (11) | |
H2A | 1.2097 | 0.0743 | 0.5386 | 0.099* | |
H2B | 1.0523 | 0.0409 | 0.5804 | 0.099* | |
C3 | 1.2247 (5) | −0.1051 (3) | 0.5440 (3) | 0.0905 (12) | |
H3A | 1.1672 | −0.1585 | 0.5832 | 0.109* | |
H3B | 1.2174 | −0.1096 | 0.4760 | 0.109* | |
C4 | 1.3862 (4) | −0.1416 (3) | 0.5495 (3) | 0.0847 (11) | |
H4A | 1.4454 | −0.0936 | 0.5045 | 0.102* | |
H4B | 1.4244 | −0.2231 | 0.5287 | 0.102* | |
C5 | 1.4041 (4) | −0.1287 (4) | 0.6517 (4) | 0.0953 (13) | |
H5A | 1.5108 | −0.1474 | 0.6512 | 0.114* | |
H5B | 1.3565 | −0.1851 | 0.6945 | 0.114* | |
C6 | 1.3349 (4) | −0.0047 (3) | 0.6940 (3) | 0.0724 (9) | |
H6A | 1.3392 | −0.0042 | 0.7628 | 0.087* | |
H6B | 1.3938 | 0.0500 | 0.6585 | 0.087* | |
C7 | 1.0016 (3) | 0.2180 (3) | 0.9005 (2) | 0.0546 (6) | |
H7 | 1.0850 | 0.1712 | 0.9264 | 0.066* | |
C8 | 0.8689 (4) | 0.1576 (3) | 0.9324 (2) | 0.0715 (9) | |
H8A | 0.9001 | 0.0767 | 0.9090 | 0.086* | |
H8B | 0.7881 | 0.1972 | 0.9019 | 0.086* | |
C9 | 0.8089 (5) | 0.1578 (4) | 1.0444 (3) | 0.0925 (12) | |
H9A | 0.7190 | 0.1247 | 1.0604 | 0.111* | |
H9B | 0.8844 | 0.1086 | 1.0746 | 0.111* | |
C10 | 0.7714 (5) | 0.2797 (4) | 1.0855 (3) | 0.0888 (11) | |
H10A | 0.7400 | 0.2763 | 1.1569 | 0.107* | |
H10B | 0.6874 | 0.3262 | 1.0613 | 0.107* | |
C11 | 0.9036 (5) | 0.3385 (4) | 1.0571 (2) | 0.0837 (11) | |
H11A | 0.9835 | 0.2970 | 1.0876 | 0.100* | |
H11B | 0.8732 | 0.4188 | 1.0817 | 0.100* | |
C12 | 0.9636 (5) | 0.3400 (3) | 0.9458 (2) | 0.0741 (9) | |
H12A | 0.8885 | 0.3907 | 0.9163 | 0.089* | |
H12B | 1.0537 | 0.3728 | 0.9308 | 0.089* | |
C13 | 1.1971 (3) | 0.3398 (2) | 0.6595 (2) | 0.0547 (6) | |
H13 | 1.3048 | 0.3046 | 0.6515 | 0.066* | |
C14 | 1.1682 (4) | 0.4553 (3) | 0.7131 (2) | 0.0656 (8) | |
H14A | 1.1991 | 0.4403 | 0.7751 | 0.079* | |
H14B | 1.0605 | 0.4890 | 0.7284 | 0.079* | |
C15 | 1.2522 (5) | 0.5443 (3) | 0.6533 (3) | 0.0760 (9) | |
H15A | 1.2208 | 0.6192 | 0.6880 | 0.091* | |
H15B | 1.3598 | 0.5169 | 0.6478 | 0.091* | |
C16 | 1.2227 (4) | 0.5620 (3) | 0.5525 (2) | 0.0710 (8) | |
H16A | 1.2845 | 0.6139 | 0.5152 | 0.085* | |
H16B | 1.1175 | 0.5998 | 0.5578 | 0.085* | |
C17 | 1.2572 (5) | 0.4475 (3) | 0.4981 (3) | 0.0872 (12) | |
H17A | 1.3647 | 0.4140 | 0.4862 | 0.105* | |
H17B | 1.2311 | 0.4620 | 0.4345 | 0.105* | |
C18 | 1.1697 (5) | 0.3598 (3) | 0.5563 (2) | 0.0751 (10) | |
H18A | 1.0625 | 0.3891 | 0.5610 | 0.090* | |
H18B | 1.1998 | 0.2853 | 0.5212 | 0.090* | |
C19 | 0.7821 (3) | 0.3226 (3) | 0.7155 (2) | 0.0552 (7) | |
C20 | 0.6218 (4) | 0.3270 (3) | 0.7066 (2) | 0.0677 (8) | |
H20A | 0.5795 | 0.4040 | 0.6832 | 0.081* | |
H20B | 0.6220 | 0.2683 | 0.6595 | 0.081* | |
C21 | 0.5278 (3) | 0.3029 (3) | 0.8068 (2) | 0.0585 (7) | |
C22 | 0.5041 (4) | 0.1919 (3) | 0.8336 (3) | 0.0740 (9) | |
H22 | 0.5390 | 0.1318 | 0.7868 | 0.089* | |
C23 | 0.4305 (4) | 0.1672 (3) | 0.9273 (3) | 0.0711 (9) | |
H23 | 0.4160 | 0.0910 | 0.9421 | 0.085* | |
C24 | 0.3767 (3) | 0.2530 (3) | 1.0011 (2) | 0.0560 (7) | |
C25 | 0.3969 (4) | 0.3652 (3) | 0.9718 (3) | 0.0740 (9) | |
H25 | 0.3596 | 0.4263 | 1.0174 | 0.089* | |
C26 | 0.4706 (4) | 0.3894 (3) | 0.8772 (3) | 0.0730 (9) | |
H26 | 0.4817 | 0.4661 | 0.8608 | 0.088* | |
C27 | 0.3040 (3) | 0.2252 (3) | 1.1040 (2) | 0.0591 (7) | |
C28 | 0.2720 (4) | 0.1160 (3) | 1.1307 (3) | 0.0847 (11) | |
H28 | 0.2968 | 0.0578 | 1.0826 | 0.102* | |
C29 | 0.2047 (5) | 0.0900 (4) | 1.2259 (3) | 0.0961 (13) | |
H29 | 0.1834 | 0.0157 | 1.2410 | 0.115* | |
C30 | 0.1690 (4) | 0.1732 (4) | 1.2986 (3) | 0.0834 (10) | |
H30 | 0.1259 | 0.1556 | 1.3635 | 0.100* | |
C31 | 0.1975 (5) | 0.2818 (4) | 1.2743 (3) | 0.0886 (11) | |
H31 | 0.1712 | 0.3396 | 1.3228 | 0.106* | |
C32 | 0.2648 (4) | 0.3082 (3) | 1.1789 (3) | 0.0777 (9) | |
H32 | 0.2842 | 0.3831 | 1.1645 | 0.093* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.05575 (13) | 0.04147 (12) | 0.04393 (12) | −0.00882 (8) | −0.00526 (8) | −0.00516 (8) |
O1 | 0.0615 (12) | 0.0550 (12) | 0.0609 (12) | −0.0073 (9) | −0.0156 (9) | −0.0059 (9) |
O2 | 0.0793 (15) | 0.0548 (13) | 0.0953 (18) | −0.0095 (11) | −0.0208 (13) | −0.0126 (12) |
C1 | 0.0590 (16) | 0.0391 (14) | 0.0549 (15) | −0.0094 (12) | −0.0026 (12) | −0.0048 (11) |
C2 | 0.104 (3) | 0.060 (2) | 0.079 (2) | 0.0128 (19) | −0.036 (2) | −0.0273 (17) |
C3 | 0.100 (3) | 0.066 (2) | 0.100 (3) | 0.004 (2) | −0.023 (2) | −0.040 (2) |
C4 | 0.080 (2) | 0.060 (2) | 0.099 (3) | −0.0118 (18) | 0.011 (2) | −0.0245 (19) |
C5 | 0.068 (2) | 0.070 (2) | 0.138 (4) | 0.0154 (18) | −0.029 (2) | −0.016 (2) |
C6 | 0.0658 (19) | 0.069 (2) | 0.080 (2) | −0.0043 (16) | −0.0200 (17) | −0.0105 (17) |
C7 | 0.0584 (16) | 0.0579 (17) | 0.0439 (14) | −0.0053 (13) | −0.0106 (12) | −0.0036 (12) |
C8 | 0.100 (3) | 0.065 (2) | 0.0511 (17) | −0.0326 (18) | −0.0049 (16) | −0.0037 (14) |
C9 | 0.121 (3) | 0.101 (3) | 0.0545 (19) | −0.046 (3) | 0.000 (2) | 0.0094 (19) |
C10 | 0.099 (3) | 0.107 (3) | 0.0517 (19) | −0.021 (2) | 0.0015 (18) | −0.0144 (19) |
C11 | 0.104 (3) | 0.092 (3) | 0.0544 (18) | −0.022 (2) | −0.0098 (18) | −0.0245 (18) |
C12 | 0.102 (3) | 0.067 (2) | 0.0555 (18) | −0.0325 (19) | −0.0057 (17) | −0.0152 (15) |
C13 | 0.0543 (15) | 0.0488 (15) | 0.0591 (16) | −0.0119 (12) | −0.0092 (12) | 0.0021 (12) |
C14 | 0.092 (2) | 0.0595 (18) | 0.0541 (16) | −0.0308 (17) | −0.0199 (16) | −0.0023 (14) |
C15 | 0.099 (3) | 0.063 (2) | 0.080 (2) | −0.0369 (19) | −0.031 (2) | 0.0059 (17) |
C16 | 0.090 (2) | 0.0560 (18) | 0.068 (2) | −0.0233 (17) | −0.0146 (17) | 0.0065 (15) |
C17 | 0.132 (3) | 0.066 (2) | 0.0579 (19) | −0.037 (2) | 0.004 (2) | 0.0005 (16) |
C18 | 0.121 (3) | 0.0594 (19) | 0.0491 (16) | −0.0375 (19) | −0.0101 (17) | −0.0036 (14) |
C19 | 0.0582 (16) | 0.0573 (17) | 0.0483 (15) | −0.0094 (14) | −0.0123 (12) | 0.0049 (13) |
C20 | 0.0618 (18) | 0.079 (2) | 0.0620 (18) | −0.0070 (16) | −0.0209 (15) | 0.0008 (16) |
C21 | 0.0485 (15) | 0.0611 (18) | 0.0675 (18) | −0.0051 (13) | −0.0216 (13) | −0.0041 (14) |
C22 | 0.083 (2) | 0.070 (2) | 0.068 (2) | −0.0183 (18) | −0.0097 (17) | −0.0231 (17) |
C23 | 0.086 (2) | 0.0513 (17) | 0.078 (2) | −0.0216 (16) | −0.0128 (18) | −0.0138 (15) |
C24 | 0.0429 (14) | 0.0510 (16) | 0.0718 (18) | −0.0067 (12) | −0.0092 (13) | −0.0128 (14) |
C25 | 0.077 (2) | 0.0473 (17) | 0.084 (2) | −0.0071 (15) | 0.0067 (18) | −0.0203 (16) |
C26 | 0.074 (2) | 0.0484 (17) | 0.086 (2) | −0.0070 (15) | −0.0034 (18) | −0.0034 (16) |
C27 | 0.0455 (14) | 0.0539 (17) | 0.0756 (19) | −0.0076 (12) | −0.0098 (13) | −0.0130 (14) |
C28 | 0.090 (3) | 0.062 (2) | 0.091 (3) | −0.0249 (19) | 0.014 (2) | −0.0208 (19) |
C29 | 0.101 (3) | 0.081 (3) | 0.098 (3) | −0.037 (2) | 0.010 (2) | −0.001 (2) |
C30 | 0.068 (2) | 0.101 (3) | 0.075 (2) | −0.019 (2) | −0.0031 (17) | −0.002 (2) |
C31 | 0.101 (3) | 0.089 (3) | 0.073 (2) | −0.018 (2) | −0.010 (2) | −0.020 (2) |
C32 | 0.093 (3) | 0.064 (2) | 0.076 (2) | −0.0189 (18) | −0.0138 (19) | −0.0140 (17) |
Sn1—O1 | 2.089 (2) | C13—H13 | 0.9800 |
Sn1—C13 | 2.162 (3) | C14—C15 | 1.526 (4) |
Sn1—C7 | 2.165 (3) | C14—H14A | 0.9700 |
Sn1—C1 | 2.168 (3) | C14—H14B | 0.9700 |
O1—C19 | 1.292 (4) | C15—C16 | 1.491 (5) |
O2—C19 | 1.206 (4) | C15—H15A | 0.9700 |
C1—C6 | 1.511 (4) | C15—H15B | 0.9700 |
C1—C2 | 1.511 (4) | C16—C17 | 1.500 (5) |
C1—H1 | 0.9800 | C16—H16A | 0.9700 |
C2—C3 | 1.525 (5) | C16—H16B | 0.9700 |
C2—H2A | 0.9700 | C17—C18 | 1.524 (5) |
C2—H2B | 0.9700 | C17—H17A | 0.9700 |
C3—C4 | 1.491 (6) | C17—H17B | 0.9700 |
C3—H3A | 0.9700 | C18—H18A | 0.9700 |
C3—H3B | 0.9700 | C18—H18B | 0.9700 |
C4—C5 | 1.491 (6) | C19—C20 | 1.517 (4) |
C4—H4A | 0.9700 | C20—C21 | 1.510 (5) |
C4—H4B | 0.9700 | C20—H20A | 0.9700 |
C5—C6 | 1.531 (5) | C20—H20B | 0.9700 |
C5—H5A | 0.9700 | C21—C26 | 1.370 (5) |
C5—H5B | 0.9700 | C21—C22 | 1.374 (5) |
C6—H6A | 0.9700 | C22—C23 | 1.371 (5) |
C6—H6B | 0.9700 | C22—H22 | 0.9300 |
C7—C12 | 1.517 (4) | C23—C24 | 1.394 (4) |
C7—C8 | 1.518 (4) | C23—H23 | 0.9300 |
C7—H7 | 0.9800 | C24—C25 | 1.385 (4) |
C8—C9 | 1.526 (5) | C24—C27 | 1.485 (4) |
C8—H8A | 0.9700 | C25—C26 | 1.379 (5) |
C8—H8B | 0.9700 | C25—H25 | 0.9300 |
C9—C10 | 1.493 (6) | C26—H26 | 0.9300 |
C9—H9A | 0.9700 | C27—C28 | 1.379 (5) |
C9—H9B | 0.9700 | C27—C32 | 1.386 (5) |
C10—C11 | 1.500 (5) | C28—C29 | 1.374 (6) |
C10—H10A | 0.9700 | C28—H28 | 0.9300 |
C10—H10B | 0.9700 | C29—C30 | 1.369 (6) |
C11—C12 | 1.518 (5) | C29—H29 | 0.9300 |
C11—H11A | 0.9700 | C30—C31 | 1.355 (6) |
C11—H11B | 0.9700 | C30—H30 | 0.9300 |
C12—H12A | 0.9700 | C31—C32 | 1.377 (5) |
C12—H12B | 0.9700 | C31—H31 | 0.9300 |
C13—C14 | 1.511 (4) | C32—H32 | 0.9300 |
C13—C18 | 1.516 (4) | ||
O1—Sn1—C13 | 110.51 (10) | C14—C13—Sn1 | 113.7 (2) |
O1—Sn1—C7 | 103.00 (10) | C18—C13—Sn1 | 111.7 (2) |
C13—Sn1—C7 | 121.90 (11) | C14—C13—H13 | 106.6 |
O1—Sn1—C1 | 93.81 (9) | C18—C13—H13 | 106.6 |
C13—Sn1—C1 | 111.80 (11) | Sn1—C13—H13 | 106.6 |
C7—Sn1—C1 | 111.69 (11) | C13—C14—C15 | 112.9 (3) |
C19—O1—Sn1 | 112.23 (18) | C13—C14—H14A | 109.0 |
C6—C1—C2 | 110.8 (3) | C15—C14—H14A | 109.0 |
C6—C1—Sn1 | 112.5 (2) | C13—C14—H14B | 109.0 |
C2—C1—Sn1 | 112.3 (2) | C15—C14—H14B | 109.0 |
C6—C1—H1 | 107.0 | H14A—C14—H14B | 107.8 |
C2—C1—H1 | 107.0 | C16—C15—C14 | 112.0 (3) |
Sn1—C1—H1 | 107.0 | C16—C15—H15A | 109.2 |
C1—C2—C3 | 112.5 (3) | C14—C15—H15A | 109.2 |
C1—C2—H2A | 109.1 | C16—C15—H15B | 109.2 |
C3—C2—H2A | 109.1 | C14—C15—H15B | 109.2 |
C1—C2—H2B | 109.1 | H15A—C15—H15B | 107.9 |
C3—C2—H2B | 109.1 | C15—C16—C17 | 111.7 (3) |
H2A—C2—H2B | 107.8 | C15—C16—H16A | 109.3 |
C4—C3—C2 | 110.7 (3) | C17—C16—H16A | 109.3 |
C4—C3—H3A | 109.5 | C15—C16—H16B | 109.3 |
C2—C3—H3A | 109.5 | C17—C16—H16B | 109.3 |
C4—C3—H3B | 109.5 | H16A—C16—H16B | 107.9 |
C2—C3—H3B | 109.5 | C16—C17—C18 | 111.5 (3) |
H3A—C3—H3B | 108.1 | C16—C17—H17A | 109.3 |
C3—C4—C5 | 111.4 (3) | C18—C17—H17A | 109.3 |
C3—C4—H4A | 109.3 | C16—C17—H17B | 109.3 |
C5—C4—H4A | 109.3 | C18—C17—H17B | 109.3 |
C3—C4—H4B | 109.3 | H17A—C17—H17B | 108.0 |
C5—C4—H4B | 109.3 | C13—C18—C17 | 112.0 (3) |
H4A—C4—H4B | 108.0 | C13—C18—H18A | 109.2 |
C4—C5—C6 | 113.1 (3) | C17—C18—H18A | 109.2 |
C4—C5—H5A | 109.0 | C13—C18—H18B | 109.2 |
C6—C5—H5A | 109.0 | C17—C18—H18B | 109.2 |
C4—C5—H5B | 109.0 | H18A—C18—H18B | 107.9 |
C6—C5—H5B | 109.0 | O2—C19—O1 | 123.1 (3) |
H5A—C5—H5B | 107.8 | O2—C19—C20 | 121.4 (3) |
C1—C6—C5 | 111.8 (3) | O1—C19—C20 | 115.3 (3) |
C1—C6—H6A | 109.3 | C21—C20—C19 | 108.8 (2) |
C5—C6—H6A | 109.3 | C21—C20—H20A | 109.9 |
C1—C6—H6B | 109.3 | C19—C20—H20A | 109.9 |
C5—C6—H6B | 109.3 | C21—C20—H20B | 109.9 |
H6A—C6—H6B | 107.9 | C19—C20—H20B | 109.9 |
C12—C7—C8 | 110.8 (3) | H20A—C20—H20B | 108.3 |
C12—C7—Sn1 | 114.8 (2) | C26—C21—C22 | 117.1 (3) |
C8—C7—Sn1 | 109.20 (19) | C26—C21—C20 | 121.2 (3) |
C12—C7—H7 | 107.2 | C22—C21—C20 | 121.6 (3) |
C8—C7—H7 | 107.2 | C23—C22—C21 | 121.8 (3) |
Sn1—C7—H7 | 107.2 | C23—C22—H22 | 119.1 |
C7—C8—C9 | 112.7 (3) | C21—C22—H22 | 119.1 |
C7—C8—H8A | 109.0 | C22—C23—C24 | 122.0 (3) |
C9—C8—H8A | 109.0 | C22—C23—H23 | 119.0 |
C7—C8—H8B | 109.0 | C24—C23—H23 | 119.0 |
C9—C8—H8B | 109.0 | C25—C24—C23 | 115.3 (3) |
H8A—C8—H8B | 107.8 | C25—C24—C27 | 122.5 (3) |
C10—C9—C8 | 111.3 (3) | C23—C24—C27 | 122.1 (3) |
C10—C9—H9A | 109.4 | C26—C25—C24 | 122.3 (3) |
C8—C9—H9A | 109.4 | C26—C25—H25 | 118.8 |
C10—C9—H9B | 109.4 | C24—C25—H25 | 118.8 |
C8—C9—H9B | 109.4 | C21—C26—C25 | 121.4 (3) |
H9A—C9—H9B | 108.0 | C21—C26—H26 | 119.3 |
C9—C10—C11 | 111.8 (3) | C25—C26—H26 | 119.3 |
C9—C10—H10A | 109.3 | C28—C27—C32 | 116.2 (3) |
C11—C10—H10A | 109.3 | C28—C27—C24 | 122.2 (3) |
C9—C10—H10B | 109.3 | C32—C27—C24 | 121.6 (3) |
C11—C10—H10B | 109.3 | C29—C28—C27 | 122.3 (4) |
H10A—C10—H10B | 107.9 | C29—C28—H28 | 118.8 |
C10—C11—C12 | 111.6 (3) | C27—C28—H28 | 118.8 |
C10—C11—H11A | 109.3 | C30—C29—C28 | 120.1 (4) |
C12—C11—H11A | 109.3 | C30—C29—H29 | 119.9 |
C10—C11—H11B | 109.3 | C28—C29—H29 | 119.9 |
C12—C11—H11B | 109.3 | C31—C30—C29 | 118.8 (4) |
H11A—C11—H11B | 108.0 | C31—C30—H30 | 120.6 |
C7—C12—C11 | 112.5 (3) | C29—C30—H30 | 120.6 |
C7—C12—H12A | 109.1 | C30—C31—C32 | 121.2 (4) |
C11—C12—H12A | 109.1 | C30—C31—H31 | 119.4 |
C7—C12—H12B | 109.1 | C32—C31—H31 | 119.4 |
C11—C12—H12B | 109.1 | C31—C32—C27 | 121.3 (4) |
H12A—C12—H12B | 107.8 | C31—C32—H32 | 119.3 |
C14—C13—C18 | 111.1 (2) | C27—C32—H32 | 119.3 |
C13—Sn1—O1—C19 | −63.4 (2) | C18—C13—C14—C15 | −51.4 (4) |
C7—Sn1—O1—C19 | 68.3 (2) | Sn1—C13—C14—C15 | −178.4 (2) |
C1—Sn1—O1—C19 | −178.4 (2) | C13—C14—C15—C16 | 52.6 (4) |
O1—Sn1—C1—C6 | 173.9 (2) | C14—C15—C16—C17 | −54.2 (5) |
C13—Sn1—C1—C6 | 60.0 (2) | C15—C16—C17—C18 | 55.7 (5) |
C7—Sn1—C1—C6 | −80.5 (2) | C14—C13—C18—C17 | 52.6 (4) |
O1—Sn1—C1—C2 | 48.1 (3) | Sn1—C13—C18—C17 | −179.3 (3) |
C13—Sn1—C1—C2 | −65.8 (3) | C16—C17—C18—C13 | −55.0 (5) |
C7—Sn1—C1—C2 | 153.7 (2) | Sn1—O1—C19—O2 | 8.5 (4) |
C6—C1—C2—C3 | 54.2 (4) | Sn1—O1—C19—C20 | −167.07 (19) |
Sn1—C1—C2—C3 | −179.1 (3) | O2—C19—C20—C21 | −82.3 (4) |
C1—C2—C3—C4 | −56.4 (5) | O1—C19—C20—C21 | 93.3 (3) |
C2—C3—C4—C5 | 55.6 (5) | C19—C20—C21—C26 | 80.1 (4) |
C3—C4—C5—C6 | −54.3 (5) | C19—C20—C21—C22 | −95.6 (4) |
C2—C1—C6—C5 | −51.3 (4) | C26—C21—C22—C23 | −1.9 (5) |
Sn1—C1—C6—C5 | −177.9 (3) | C20—C21—C22—C23 | 174.0 (3) |
C4—C5—C6—C1 | 52.2 (5) | C21—C22—C23—C24 | −0.6 (6) |
O1—Sn1—C7—C12 | −93.2 (2) | C22—C23—C24—C25 | 2.7 (5) |
C13—Sn1—C7—C12 | 31.4 (3) | C22—C23—C24—C27 | −176.8 (3) |
C1—Sn1—C7—C12 | 167.3 (2) | C23—C24—C25—C26 | −2.5 (5) |
O1—Sn1—C7—C8 | 32.0 (2) | C27—C24—C25—C26 | 177.0 (3) |
C13—Sn1—C7—C8 | 156.5 (2) | C22—C21—C26—C25 | 2.1 (5) |
C1—Sn1—C7—C8 | −67.6 (2) | C20—C21—C26—C25 | −173.8 (3) |
C12—C7—C8—C9 | −52.0 (4) | C24—C25—C26—C21 | 0.1 (6) |
Sn1—C7—C8—C9 | −179.4 (3) | C25—C24—C27—C28 | 174.1 (4) |
C7—C8—C9—C10 | 53.9 (5) | C23—C24—C27—C28 | −6.5 (5) |
C8—C9—C10—C11 | −55.2 (5) | C25—C24—C27—C32 | −6.1 (5) |
C9—C10—C11—C12 | 55.6 (5) | C23—C24—C27—C32 | 173.4 (3) |
C8—C7—C12—C11 | 52.0 (4) | C32—C27—C28—C29 | 0.2 (6) |
Sn1—C7—C12—C11 | 176.3 (3) | C24—C27—C28—C29 | −180.0 (4) |
C10—C11—C12—C7 | −54.2 (5) | C27—C28—C29—C30 | −1.0 (7) |
O1—Sn1—C13—C14 | 95.8 (2) | C28—C29—C30—C31 | 1.7 (7) |
C7—Sn1—C13—C14 | −25.2 (3) | C29—C30—C31—C32 | −1.7 (7) |
C1—Sn1—C13—C14 | −161.1 (2) | C30—C31—C32—C27 | 0.9 (7) |
O1—Sn1—C13—C18 | −30.9 (3) | C28—C27—C32—C31 | −0.1 (6) |
C7—Sn1—C13—C18 | −152.0 (2) | C24—C27—C32—C31 | −179.9 (3) |
C1—Sn1—C13—C18 | 72.2 (2) |