Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805018635/bh6011sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805018635/bh6011Isup2.hkl |
CCDC reference: 277195
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: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
[Sn(C10H13)3(C6H4NO2)] | F(000) = 1328 |
Mr = 640.40 | Dx = 1.281 Mg m−3 |
Monoclinic, P21/n | Melting point = 348–349 K |
Hall symbol: -P 2yn | Mo Kα radiation, λ = 0.71073 Å |
a = 12.0660 (5) Å | Cell parameters from 7633 reflections |
b = 18.2275 (8) Å | θ = 2.2–28.3° |
c = 15.1284 (6) Å | µ = 0.80 mm−1 |
β = 93.774 (1)° | T = 295 K |
V = 3320.0 (2) Å3 | Block, colourless |
Z = 4 | 0.20 × 0.18 × 0.15 mm |
Bruker SMART APEX detector diffractometer | 7571 independent reflections |
Radiation source: fine-focus sealed tube | 6225 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.024 |
φ and ω scans | θmax = 27.5°, θmin = 1.8° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −15→15 |
Tmin = 0.856, Tmax = 0.889 | k = −23→23 |
37665 measured reflections | l = −19→19 |
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) = 0.080 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0439P)2 + 0.4744P] where P = (Fo2 + 2Fc2)/3 |
7571 reflections | (Δ/σ)max = 0.003 |
383 parameters | Δρmax = 0.34 e Å−3 |
162 restraints | Δρmin = −0.29 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 | 0.787641 (11) | 0.847036 (7) | 0.754995 (9) | 0.05053 (6) | |
O1 | 0.89808 (12) | 0.92033 (9) | 0.70210 (10) | 0.0662 (4) | |
O2 | 0.99505 (18) | 0.92400 (14) | 0.83155 (13) | 0.1019 (7) | |
N1 | 1.2029 (2) | 1.08163 (19) | 0.7312 (2) | 0.1221 (11) | |
C1 | 0.9812 (2) | 0.94108 (14) | 0.75437 (17) | 0.0669 (6) | |
C2 | 1.06145 (18) | 0.99031 (12) | 0.71198 (16) | 0.0620 (5) | |
C3 | 1.0698 (2) | 0.99300 (16) | 0.62270 (18) | 0.0815 (7) | |
H3 | 1.0241 | 0.9639 | 0.5853 | 0.098* | |
C4 | 1.1452 (3) | 1.0384 (2) | 0.5886 (2) | 0.1047 (10) | |
H4 | 1.1527 | 1.0399 | 0.5278 | 0.126* | |
C5 | 1.2082 (3) | 1.0808 (2) | 0.6431 (3) | 0.1201 (13) | |
H5 | 1.2592 | 1.1117 | 0.6184 | 0.144* | |
C6 | 1.1305 (2) | 1.03498 (18) | 0.7639 (2) | 0.0916 (9) | |
H6 | 1.1267 | 1.0326 | 0.8251 | 0.110* | |
C7 | 0.8908 (2) | 0.75451 (14) | 0.79053 (16) | 0.0752 (7) | |
H7A | 0.9560 | 0.7724 | 0.8249 | 0.090* | |
H7B | 0.8505 | 0.7233 | 0.8292 | 0.090* | |
C8 | 0.9305 (2) | 0.70653 (14) | 0.71524 (17) | 0.0700 (6) | |
C9 | 1.0049 (3) | 0.75288 (18) | 0.6593 (3) | 0.1139 (12) | |
H9A | 1.0382 | 0.7221 | 0.6169 | 0.171* | |
H9B | 1.0622 | 0.7755 | 0.6972 | 0.171* | |
H9C | 0.9612 | 0.7902 | 0.6288 | 0.171* | |
C10 | 1.0009 (3) | 0.64325 (19) | 0.7580 (3) | 0.1194 (13) | |
H10A | 0.9568 | 0.6159 | 0.7970 | 0.179* | |
H10B | 1.0645 | 0.6632 | 0.7911 | 0.179* | |
H10C | 1.0250 | 0.6114 | 0.7125 | 0.179* | |
C11 | 0.8332 (2) | 0.67291 (13) | 0.66043 (18) | 0.0731 (7) | |
C12 | 0.8173 (7) | 0.6643 (5) | 0.5707 (4) | 0.1013 (17) | 0.585 (8) |
H12A | 0.8711 | 0.6816 | 0.5346 | 0.122* | 0.585 (8) |
C13 | 0.7233 (7) | 0.6303 (5) | 0.5316 (5) | 0.128 (3) | 0.585 (8) |
H13A | 0.7136 | 0.6253 | 0.4704 | 0.154* | 0.585 (8) |
C14 | 0.6453 (6) | 0.6046 (5) | 0.5854 (6) | 0.118 (3) | 0.585 (8) |
H14 | 0.5810 | 0.5832 | 0.5597 | 0.142* | 0.585 (8) |
C15 | 0.6587 (6) | 0.6093 (5) | 0.6764 (5) | 0.109 (2) | 0.585 (8) |
H15 | 0.6056 | 0.5898 | 0.7117 | 0.131* | 0.585 (8) |
C16 | 0.7536 (8) | 0.6439 (8) | 0.7148 (5) | 0.0916 (16) | 0.585 (8) |
H16 | 0.7641 | 0.6478 | 0.7761 | 0.110* | 0.585 (8) |
C12' | 0.8430 (9) | 0.6835 (7) | 0.5701 (5) | 0.1013 (17) | 0.415 (8) |
H12' | 0.9044 | 0.7080 | 0.5505 | 0.122* | 0.415 (8) |
C13' | 0.7607 (10) | 0.6572 (7) | 0.5091 (6) | 0.128 (3) | 0.415 (8) |
H13' | 0.7673 | 0.6643 | 0.4488 | 0.154* | 0.415 (8) |
C14' | 0.6699 (9) | 0.6210 (7) | 0.5378 (8) | 0.118 (3) | 0.415 (8) |
H14' | 0.6161 | 0.6033 | 0.4964 | 0.142* | 0.415 (8) |
C15' | 0.6571 (9) | 0.6102 (8) | 0.6262 (8) | 0.109 (2) | 0.415 (8) |
H15' | 0.5955 | 0.5856 | 0.6454 | 0.131* | 0.415 (8) |
C16' | 0.7393 (11) | 0.6372 (11) | 0.6862 (7) | 0.0916 (16) | 0.415 (8) |
H16' | 0.7309 | 0.6309 | 0.7464 | 0.110* | 0.415 (8) |
C17 | 0.69022 (19) | 0.83465 (13) | 0.63242 (15) | 0.0651 (6) | |
H17A | 0.7397 | 0.8415 | 0.5851 | 0.078* | |
H17B | 0.6650 | 0.7841 | 0.6292 | 0.078* | |
C18 | 0.5885 (2) | 0.88352 (14) | 0.61158 (16) | 0.0687 (6) | |
C19 | 0.6246 (3) | 0.96447 (16) | 0.6202 (2) | 0.1094 (11) | |
H19A | 0.5629 | 0.9956 | 0.6026 | 0.164* | |
H19B | 0.6843 | 0.9735 | 0.5826 | 0.164* | |
H19C | 0.6491 | 0.9747 | 0.6805 | 0.164* | |
C20 | 0.5439 (3) | 0.8691 (2) | 0.5155 (2) | 0.1112 (11) | |
H20A | 0.5323 | 0.8174 | 0.5070 | 0.167* | |
H20B | 0.5968 | 0.8863 | 0.4756 | 0.167* | |
H20C | 0.4749 | 0.8946 | 0.5040 | 0.167* | |
C21 | 0.4952 (2) | 0.86498 (15) | 0.67090 (17) | 0.0695 (6) | |
C22 | 0.4568 (2) | 0.79432 (17) | 0.67694 (18) | 0.0858 (8) | |
H22 | 0.4921 | 0.7569 | 0.6478 | 0.103* | |
C23 | 0.3659 (4) | 0.7773 (3) | 0.7260 (3) | 0.1260 (15) | |
H23 | 0.3398 | 0.7294 | 0.7287 | 0.151* | |
C24 | 0.3170 (4) | 0.8316 (5) | 0.7690 (3) | 0.165 (3) | |
H24 | 0.2554 | 0.8206 | 0.8004 | 0.199* | |
C25 | 0.3530 (4) | 0.9004 (4) | 0.7684 (4) | 0.157 (2) | |
H25 | 0.3200 | 0.9363 | 0.8015 | 0.188* | |
C26 | 0.4401 (3) | 0.9177 (2) | 0.7178 (3) | 0.1125 (12) | |
H26 | 0.4629 | 0.9663 | 0.7150 | 0.135* | |
C27 | 0.7117 (2) | 0.90815 (12) | 0.85577 (14) | 0.0633 (5) | |
H27A | 0.7452 | 0.9565 | 0.8584 | 0.076* | |
H27B | 0.6339 | 0.9146 | 0.8370 | 0.076* | |
C28 | 0.7183 (2) | 0.87647 (14) | 0.95056 (15) | 0.0696 (6) | |
C29 | 0.6361 (3) | 0.92004 (18) | 1.0050 (2) | 0.1109 (11) | |
H29A | 0.5621 | 0.9142 | 0.9787 | 0.166* | |
H29B | 0.6558 | 0.9711 | 1.0055 | 0.166* | |
H29C | 0.6396 | 0.9018 | 1.0647 | 0.166* | |
C30 | 0.8359 (3) | 0.88801 (19) | 0.99237 (18) | 0.0998 (10) | |
H30A | 0.8390 | 0.8728 | 1.0532 | 0.150* | |
H30B | 0.8552 | 0.9390 | 0.9892 | 0.150* | |
H30C | 0.8874 | 0.8595 | 0.9609 | 0.150* | |
C31 | 0.68515 (18) | 0.79585 (13) | 0.94937 (13) | 0.0612 (5) | |
C32 | 0.5939 (2) | 0.77160 (15) | 0.89743 (17) | 0.0742 (6) | |
H32 | 0.5508 | 0.8052 | 0.8641 | 0.089* | |
C33 | 0.5658 (3) | 0.69792 (17) | 0.8943 (2) | 0.0947 (9) | |
H33 | 0.5054 | 0.6825 | 0.8578 | 0.114* | |
C34 | 0.6255 (3) | 0.64809 (16) | 0.9440 (2) | 0.0941 (9) | |
H34 | 0.6060 | 0.5987 | 0.9420 | 0.113* | |
C35 | 0.7129 (3) | 0.67068 (18) | 0.9960 (2) | 0.0941 (9) | |
H35 | 0.7537 | 0.6368 | 1.0306 | 0.113* | |
C36 | 0.7431 (2) | 0.74334 (16) | 0.99882 (17) | 0.0795 (7) | |
H36 | 0.8045 | 0.7575 | 1.0352 | 0.095* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.04881 (9) | 0.05582 (10) | 0.04646 (9) | −0.00128 (5) | −0.00061 (6) | 0.00178 (6) |
O1 | 0.0564 (8) | 0.0746 (10) | 0.0671 (10) | −0.0149 (7) | 0.0018 (7) | 0.0026 (8) |
O2 | 0.1006 (14) | 0.1400 (18) | 0.0641 (12) | −0.0361 (13) | −0.0022 (10) | 0.0051 (12) |
N1 | 0.0874 (19) | 0.130 (3) | 0.150 (3) | −0.0480 (17) | 0.0152 (19) | −0.031 (2) |
C1 | 0.0606 (13) | 0.0769 (15) | 0.0632 (15) | −0.0070 (11) | 0.0040 (11) | −0.0080 (11) |
C2 | 0.0487 (11) | 0.0673 (13) | 0.0704 (14) | −0.0037 (9) | 0.0061 (10) | −0.0124 (11) |
C3 | 0.0741 (16) | 0.0931 (18) | 0.0774 (17) | −0.0221 (14) | 0.0061 (13) | −0.0083 (14) |
C4 | 0.100 (2) | 0.129 (3) | 0.088 (2) | −0.032 (2) | 0.0293 (18) | 0.0007 (19) |
C5 | 0.087 (2) | 0.131 (3) | 0.146 (4) | −0.042 (2) | 0.038 (2) | −0.004 (3) |
C6 | 0.0708 (16) | 0.115 (2) | 0.090 (2) | −0.0280 (16) | 0.0124 (14) | −0.0308 (17) |
C7 | 0.0814 (16) | 0.0823 (16) | 0.0605 (14) | 0.0242 (13) | −0.0049 (12) | 0.0067 (12) |
C8 | 0.0608 (13) | 0.0737 (15) | 0.0768 (16) | 0.0167 (11) | 0.0137 (12) | 0.0077 (12) |
C9 | 0.088 (2) | 0.102 (2) | 0.159 (3) | −0.0048 (17) | 0.064 (2) | −0.010 (2) |
C10 | 0.109 (3) | 0.115 (3) | 0.131 (3) | 0.061 (2) | −0.011 (2) | 0.006 (2) |
C11 | 0.0766 (16) | 0.0565 (12) | 0.0867 (18) | 0.0206 (11) | 0.0090 (13) | −0.0035 (12) |
C12 | 0.105 (4) | 0.100 (4) | 0.097 (2) | 0.015 (3) | −0.003 (2) | −0.037 (2) |
C13 | 0.128 (5) | 0.115 (5) | 0.140 (5) | 0.000 (4) | 0.000 (4) | −0.048 (4) |
C14 | 0.122 (4) | 0.094 (4) | 0.137 (6) | 0.019 (3) | −0.009 (4) | −0.030 (5) |
C15 | 0.107 (3) | 0.081 (2) | 0.141 (6) | −0.002 (2) | 0.008 (4) | −0.003 (5) |
C16 | 0.073 (3) | 0.070 (3) | 0.132 (4) | −0.0081 (19) | 0.002 (3) | −0.004 (4) |
C12' | 0.105 (4) | 0.100 (4) | 0.097 (2) | 0.015 (3) | −0.003 (2) | −0.037 (2) |
C13' | 0.128 (5) | 0.115 (5) | 0.140 (5) | 0.000 (4) | 0.000 (4) | −0.048 (4) |
C14' | 0.122 (4) | 0.094 (4) | 0.137 (6) | 0.019 (3) | −0.009 (4) | −0.030 (5) |
C15' | 0.107 (3) | 0.081 (2) | 0.141 (6) | −0.002 (2) | 0.008 (4) | −0.003 (5) |
C16' | 0.073 (3) | 0.070 (3) | 0.132 (4) | −0.0081 (19) | 0.002 (3) | −0.004 (4) |
C17 | 0.0580 (13) | 0.0796 (15) | 0.0562 (13) | 0.0030 (11) | −0.0077 (10) | −0.0081 (11) |
C18 | 0.0645 (13) | 0.0753 (15) | 0.0644 (14) | 0.0024 (11) | −0.0100 (11) | 0.0183 (12) |
C19 | 0.113 (2) | 0.0747 (18) | 0.137 (3) | −0.0047 (17) | −0.012 (2) | 0.0478 (19) |
C20 | 0.090 (2) | 0.178 (3) | 0.0631 (18) | −0.007 (2) | −0.0190 (16) | 0.034 (2) |
C21 | 0.0569 (13) | 0.0811 (16) | 0.0679 (15) | 0.0095 (11) | −0.0156 (11) | 0.0137 (12) |
C22 | 0.0839 (18) | 0.105 (2) | 0.0655 (16) | −0.0227 (16) | −0.0208 (14) | 0.0141 (14) |
C23 | 0.109 (3) | 0.180 (4) | 0.084 (2) | −0.064 (3) | −0.029 (2) | 0.029 (3) |
C24 | 0.075 (3) | 0.313 (9) | 0.107 (4) | −0.031 (4) | −0.004 (2) | −0.002 (5) |
C25 | 0.083 (3) | 0.221 (6) | 0.168 (5) | 0.042 (3) | 0.020 (3) | −0.024 (4) |
C26 | 0.081 (2) | 0.124 (3) | 0.133 (3) | 0.037 (2) | 0.007 (2) | 0.005 (2) |
C27 | 0.0710 (13) | 0.0605 (12) | 0.0591 (13) | −0.0019 (11) | 0.0107 (10) | −0.0034 (10) |
C28 | 0.0813 (16) | 0.0789 (15) | 0.0494 (12) | −0.0160 (13) | 0.0104 (11) | −0.0090 (11) |
C29 | 0.155 (3) | 0.099 (2) | 0.085 (2) | −0.015 (2) | 0.053 (2) | −0.0293 (17) |
C30 | 0.113 (2) | 0.124 (3) | 0.0596 (16) | −0.048 (2) | −0.0152 (15) | −0.0048 (16) |
C31 | 0.0618 (12) | 0.0832 (15) | 0.0389 (10) | −0.0080 (11) | 0.0047 (9) | 0.0021 (10) |
C32 | 0.0708 (14) | 0.0814 (16) | 0.0679 (15) | −0.0114 (12) | −0.0141 (12) | 0.0164 (12) |
C33 | 0.098 (2) | 0.094 (2) | 0.089 (2) | −0.0328 (17) | −0.0226 (16) | 0.0132 (16) |
C34 | 0.109 (2) | 0.0794 (19) | 0.093 (2) | −0.0168 (16) | 0.0022 (19) | 0.0210 (15) |
C35 | 0.096 (2) | 0.095 (2) | 0.091 (2) | 0.0030 (17) | −0.0008 (18) | 0.0342 (17) |
C36 | 0.0688 (15) | 0.105 (2) | 0.0632 (15) | −0.0075 (14) | −0.0083 (12) | 0.0159 (14) |
Sn1—O1 | 2.0836 (15) | C15'—H15' | 0.9300 |
Sn1—C17 | 2.141 (2) | C16'—H16' | 0.9300 |
Sn1—C27 | 2.142 (2) | C17—C18 | 1.533 (3) |
Sn1—C7 | 2.143 (2) | C17—H17A | 0.9700 |
O1—C1 | 1.292 (3) | C17—H17B | 0.9700 |
O2—C1 | 1.209 (3) | C18—C21 | 1.523 (4) |
N1—C6 | 1.337 (4) | C18—C20 | 1.538 (4) |
N1—C5 | 1.339 (5) | C18—C19 | 1.542 (4) |
C1—C2 | 1.495 (3) | C19—H19A | 0.9600 |
C2—C3 | 1.362 (3) | C19—H19B | 0.9600 |
C2—C6 | 1.375 (3) | C19—H19C | 0.9600 |
C3—C4 | 1.357 (4) | C20—H20A | 0.9600 |
C3—H3 | 0.9300 | C20—H20B | 0.9600 |
C4—C5 | 1.332 (5) | C20—H20C | 0.9600 |
C4—H4 | 0.9300 | C21—C22 | 1.374 (4) |
C5—H5 | 0.9300 | C21—C26 | 1.389 (4) |
C6—H6 | 0.9300 | C22—C23 | 1.399 (5) |
C7—C8 | 1.537 (3) | C22—H22 | 0.9300 |
C7—H7A | 0.9700 | C23—C24 | 1.342 (7) |
C7—H7B | 0.9700 | C23—H23 | 0.9300 |
C8—C11 | 1.521 (4) | C24—C25 | 1.328 (8) |
C8—C9 | 1.528 (4) | C24—H24 | 0.9300 |
C8—C10 | 1.549 (4) | C25—C26 | 1.376 (6) |
C9—H9A | 0.9600 | C25—H25 | 0.9300 |
C9—H9B | 0.9600 | C26—H26 | 0.9300 |
C9—H9C | 0.9600 | C27—C28 | 1.543 (3) |
C10—H10A | 0.9600 | C27—H27A | 0.9700 |
C10—H10B | 0.9600 | C27—H27B | 0.9700 |
C10—H10C | 0.9600 | C28—C31 | 1.523 (3) |
C11—C12 | 1.368 (6) | C28—C30 | 1.530 (4) |
C11—C16' | 1.386 (7) | C28—C29 | 1.549 (4) |
C11—C12' | 1.392 (7) | C29—H29A | 0.9600 |
C11—C16 | 1.408 (6) | C29—H29B | 0.9600 |
C12—C13 | 1.389 (7) | C29—H29C | 0.9600 |
C12—H12A | 0.9300 | C30—H30A | 0.9600 |
C13—C14 | 1.367 (7) | C30—H30B | 0.9600 |
C13—H13A | 0.9300 | C30—H30C | 0.9600 |
C14—C15 | 1.379 (6) | C31—C36 | 1.377 (3) |
C14—H14 | 0.9300 | C31—C32 | 1.383 (3) |
C15—C16 | 1.401 (6) | C32—C33 | 1.385 (4) |
C15—H15 | 0.9300 | C32—H32 | 0.9300 |
C16—H16 | 0.9300 | C33—C34 | 1.355 (4) |
C12'—C13' | 1.396 (7) | C33—H33 | 0.9300 |
C12'—H12' | 0.9300 | C34—C35 | 1.338 (5) |
C13'—C14' | 1.374 (7) | C34—H34 | 0.9300 |
C13'—H13' | 0.9300 | C35—C36 | 1.373 (4) |
C14'—C15' | 1.370 (7) | C35—H35 | 0.9300 |
C14'—H14' | 0.9300 | C36—H36 | 0.9300 |
C15'—C16' | 1.389 (7) | ||
O1—Sn1—C17 | 93.64 (8) | C11—C16'—H16' | 118.5 |
O1—Sn1—C27 | 104.72 (8) | C15'—C16'—H16' | 118.5 |
C17—Sn1—C27 | 115.80 (9) | C18—C17—Sn1 | 120.24 (16) |
O1—Sn1—C7 | 103.02 (9) | C18—C17—H17A | 107.3 |
C17—Sn1—C7 | 114.26 (9) | Sn1—C17—H17A | 107.3 |
C27—Sn1—C7 | 119.94 (9) | C18—C17—H17B | 107.3 |
C1—O1—Sn1 | 116.28 (15) | Sn1—C17—H17B | 107.3 |
C6—N1—C5 | 115.9 (3) | H17A—C17—H17B | 106.9 |
O2—C1—O1 | 124.6 (2) | C21—C18—C17 | 111.26 (19) |
O2—C1—C2 | 121.1 (2) | C21—C18—C20 | 107.0 (2) |
O1—C1—C2 | 114.3 (2) | C17—C18—C20 | 108.7 (2) |
C3—C2—C6 | 117.7 (2) | C21—C18—C19 | 112.3 (2) |
C3—C2—C1 | 122.6 (2) | C17—C18—C19 | 108.7 (2) |
C6—C2—C1 | 119.7 (2) | C20—C18—C19 | 108.8 (2) |
C4—C3—C2 | 119.6 (3) | C18—C19—H19A | 109.5 |
C4—C3—H3 | 120.2 | C18—C19—H19B | 109.5 |
C2—C3—H3 | 120.2 | H19A—C19—H19B | 109.5 |
C5—C4—C3 | 119.2 (3) | C18—C19—H19C | 109.5 |
C5—C4—H4 | 120.4 | H19A—C19—H19C | 109.5 |
C3—C4—H4 | 120.4 | H19B—C19—H19C | 109.5 |
C4—C5—N1 | 124.1 (3) | C18—C20—H20A | 109.5 |
C4—C5—H5 | 117.9 | C18—C20—H20B | 109.5 |
N1—C5—H5 | 117.9 | H20A—C20—H20B | 109.5 |
N1—C6—C2 | 123.5 (3) | C18—C20—H20C | 109.5 |
N1—C6—H6 | 118.3 | H20A—C20—H20C | 109.5 |
C2—C6—H6 | 118.3 | H20B—C20—H20C | 109.5 |
C8—C7—Sn1 | 117.77 (16) | C22—C21—C26 | 116.1 (3) |
C8—C7—H7A | 107.9 | C22—C21—C18 | 120.8 (3) |
Sn1—C7—H7A | 107.9 | C26—C21—C18 | 123.0 (3) |
C8—C7—H7B | 107.9 | C21—C22—C23 | 121.5 (4) |
Sn1—C7—H7B | 107.9 | C21—C22—H22 | 119.2 |
H7A—C7—H7B | 107.2 | C23—C22—H22 | 119.2 |
C11—C8—C9 | 112.4 (2) | C24—C23—C22 | 118.6 (5) |
C11—C8—C7 | 111.48 (19) | C24—C23—H23 | 120.7 |
C9—C8—C7 | 108.6 (2) | C22—C23—H23 | 120.7 |
C11—C8—C10 | 108.1 (2) | C25—C24—C23 | 122.6 (5) |
C9—C8—C10 | 108.5 (3) | C25—C24—H24 | 118.7 |
C7—C8—C10 | 107.6 (2) | C23—C24—H24 | 118.7 |
C8—C9—H9A | 109.5 | C24—C25—C26 | 118.8 (5) |
C8—C9—H9B | 109.5 | C24—C25—H25 | 120.6 |
H9A—C9—H9B | 109.5 | C26—C25—H25 | 120.6 |
C8—C9—H9C | 109.5 | C25—C26—C21 | 122.3 (4) |
H9A—C9—H9C | 109.5 | C25—C26—H26 | 118.8 |
H9B—C9—H9C | 109.5 | C21—C26—H26 | 118.8 |
C8—C10—H10A | 109.5 | C28—C27—Sn1 | 117.95 (16) |
C8—C10—H10B | 109.5 | C28—C27—H27A | 107.8 |
H10A—C10—H10B | 109.5 | Sn1—C27—H27A | 107.8 |
C8—C10—H10C | 109.5 | C28—C27—H27B | 107.8 |
H10A—C10—H10C | 109.5 | Sn1—C27—H27B | 107.8 |
H10B—C10—H10C | 109.5 | H27A—C27—H27B | 107.2 |
C12—C11—C16' | 99.3 (5) | C31—C28—C30 | 111.9 (2) |
C16'—C11—C12' | 117.7 (5) | C31—C28—C27 | 110.66 (18) |
C12—C11—C16 | 118.7 (4) | C30—C28—C27 | 108.8 (2) |
C12'—C11—C16 | 136.9 (5) | C31—C28—C29 | 108.9 (2) |
C12—C11—C8 | 129.8 (4) | C30—C28—C29 | 108.6 (2) |
C16'—C11—C8 | 130.7 (5) | C27—C28—C29 | 107.9 (2) |
C12'—C11—C8 | 111.5 (4) | C28—C29—H29A | 109.5 |
C16—C11—C8 | 111.3 (3) | C28—C29—H29B | 109.5 |
C11—C12—C13 | 122.0 (5) | H29A—C29—H29B | 109.5 |
C11—C12—H12A | 119.0 | C28—C29—H29C | 109.5 |
C13—C12—H12A | 119.0 | H29A—C29—H29C | 109.5 |
C14—C13—C12 | 118.3 (6) | H29B—C29—H29C | 109.5 |
C14—C13—H13A | 120.8 | C28—C30—H30A | 109.5 |
C12—C13—H13A | 120.8 | C28—C30—H30B | 109.5 |
C13—C14—C15 | 122.2 (6) | H30A—C30—H30B | 109.5 |
C13—C14—H14 | 118.9 | C28—C30—H30C | 109.5 |
C15—C14—H14 | 118.9 | H30A—C30—H30C | 109.5 |
C14—C15—C16 | 118.8 (6) | H30B—C30—H30C | 109.5 |
C14—C15—H15 | 120.6 | C36—C31—C32 | 116.3 (2) |
C16—C15—H15 | 120.6 | C36—C31—C28 | 122.7 (2) |
C15—C16—C11 | 119.8 (5) | C32—C31—C28 | 120.9 (2) |
C15—C16—H16 | 120.1 | C31—C32—C33 | 120.9 (3) |
C11—C16—H16 | 120.1 | C31—C32—H32 | 119.6 |
C11—C12'—C13' | 120.0 (7) | C33—C32—H32 | 119.6 |
C11—C12'—H12' | 120.0 | C34—C33—C32 | 120.8 (3) |
C13'—C12'—H12' | 120.0 | C34—C33—H33 | 119.6 |
C14'—C13'—C12' | 120.2 (7) | C32—C33—H33 | 119.6 |
C14'—C13'—H13' | 119.9 | C35—C34—C33 | 119.3 (3) |
C12'—C13'—H13' | 119.9 | C35—C34—H34 | 120.4 |
C15'—C14'—C13' | 121.4 (7) | C33—C34—H34 | 120.4 |
C15'—C14'—H14' | 119.3 | C34—C35—C36 | 120.8 (3) |
C13'—C14'—H14' | 119.3 | C34—C35—H35 | 119.6 |
C14'—C15'—C16' | 117.7 (7) | C36—C35—H35 | 119.6 |
C14'—C15'—H15' | 121.1 | C35—C36—C31 | 122.0 (3) |
C16'—C15'—H15' | 121.1 | C35—C36—H36 | 119.0 |
C11—C16'—C15' | 123.0 (7) | C31—C36—H36 | 119.0 |
C17—Sn1—O1—C1 | −175.87 (17) | C8—C11—C12'—C13' | −179.2 (7) |
C27—Sn1—O1—C1 | 66.25 (18) | C11—C12'—C13'—C14' | 0.0 (14) |
C7—Sn1—O1—C1 | −59.94 (18) | C12'—C13'—C14'—C15' | 1 (2) |
Sn1—O1—C1—O2 | −4.1 (3) | C13'—C14'—C15'—C16' | 0 (2) |
Sn1—O1—C1—C2 | 176.76 (14) | C12—C11—C16'—C15' | −5 (2) |
O2—C1—C2—C3 | 159.1 (3) | C12'—C11—C16'—C15' | 2 (2) |
O1—C1—C2—C3 | −21.7 (3) | C16—C11—C16'—C15' | 174 (6) |
O2—C1—C2—C6 | −20.7 (4) | C8—C11—C16'—C15' | 179.3 (12) |
O1—C1—C2—C6 | 158.5 (2) | C14'—C15'—C16'—C11 | −1 (3) |
C6—C2—C3—C4 | 0.5 (4) | O1—Sn1—C17—C18 | −92.67 (19) |
C1—C2—C3—C4 | −179.3 (3) | C27—Sn1—C17—C18 | 15.6 (2) |
C2—C3—C4—C5 | −1.4 (5) | C7—Sn1—C17—C18 | 161.29 (18) |
C3—C4—C5—N1 | 0.3 (7) | Sn1—C17—C18—C21 | −69.3 (2) |
C6—N1—C5—C4 | 1.6 (7) | Sn1—C17—C18—C20 | 173.1 (2) |
C5—N1—C6—C2 | −2.6 (5) | Sn1—C17—C18—C19 | 54.8 (3) |
C3—C2—C6—N1 | 1.6 (4) | C17—C18—C21—C22 | −53.5 (3) |
C1—C2—C6—N1 | −178.6 (3) | C20—C18—C21—C22 | 65.1 (3) |
O1—Sn1—C7—C8 | −72.2 (2) | C19—C18—C21—C22 | −175.6 (2) |
C17—Sn1—C7—C8 | 27.9 (2) | C17—C18—C21—C26 | 130.1 (3) |
C27—Sn1—C7—C8 | 172.04 (18) | C20—C18—C21—C26 | −111.4 (3) |
Sn1—C7—C8—C11 | −60.5 (3) | C19—C18—C21—C26 | 8.0 (4) |
Sn1—C7—C8—C9 | 63.9 (3) | C26—C21—C22—C23 | 1.5 (4) |
Sn1—C7—C8—C10 | −178.9 (2) | C18—C21—C22—C23 | −175.2 (2) |
C9—C8—C11—C12 | 16.4 (6) | C21—C22—C23—C24 | −1.2 (5) |
C7—C8—C11—C12 | 138.6 (5) | C22—C23—C24—C25 | −1.5 (8) |
C10—C8—C11—C12 | −103.3 (6) | C23—C24—C25—C26 | 3.6 (9) |
C9—C8—C11—C16' | −169.3 (13) | C24—C25—C26—C21 | −3.3 (7) |
C7—C8—C11—C16' | −47.1 (13) | C22—C21—C26—C25 | 0.8 (5) |
C10—C8—C11—C16' | 71.0 (13) | C18—C21—C26—C25 | 177.3 (3) |
C9—C8—C11—C12' | 8.5 (6) | O1—Sn1—C27—C28 | −124.41 (17) |
C7—C8—C11—C12' | 130.7 (6) | C17—Sn1—C27—C28 | 134.06 (17) |
C10—C8—C11—C12' | −111.2 (6) | C7—Sn1—C27—C28 | −9.6 (2) |
C9—C8—C11—C16 | −167.4 (7) | Sn1—C27—C28—C31 | −48.2 (2) |
C7—C8—C11—C16 | −45.2 (7) | Sn1—C27—C28—C30 | 75.2 (3) |
C10—C8—C11—C16 | 72.9 (7) | Sn1—C27—C28—C29 | −167.22 (18) |
C16'—C11—C12—C13 | 2.8 (13) | C30—C28—C31—C36 | 14.6 (3) |
C12'—C11—C12—C13 | −159 (3) | C27—C28—C31—C36 | 136.1 (2) |
C16—C11—C12—C13 | 2.5 (11) | C29—C28—C31—C36 | −105.4 (3) |
C8—C11—C12—C13 | 178.4 (5) | C30—C28—C31—C32 | −165.3 (2) |
C11—C12—C13—C14 | −0.5 (11) | C27—C28—C31—C32 | −43.7 (3) |
C12—C13—C14—C15 | −2.0 (13) | C29—C28—C31—C32 | 74.7 (3) |
C13—C14—C15—C16 | 2.3 (15) | C36—C31—C32—C33 | −1.9 (4) |
C14—C15—C16—C11 | −0.2 (17) | C28—C31—C32—C33 | 178.0 (3) |
C12—C11—C16—C15 | −2.1 (15) | C31—C32—C33—C34 | 1.8 (5) |
C16'—C11—C16—C15 | −3 (4) | C32—C33—C34—C35 | −0.5 (6) |
C12'—C11—C16—C15 | 7 (2) | C33—C34—C35—C36 | −0.6 (6) |
C8—C11—C16—C15 | −178.8 (10) | C34—C35—C36—C31 | 0.5 (5) |
C12—C11—C12'—C13' | 19 (2) | C32—C31—C36—C35 | 0.8 (4) |
C16'—C11—C12'—C13' | −1.1 (14) | C28—C31—C36—C35 | −179.1 (3) |
C16—C11—C12'—C13' | −4.7 (18) |