Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805021458/bh6016sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805021458/bh6016Isup2.hkl |
CCDC reference: 282235
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(C7H3N2O6)] | F(000) = 1504 |
Mr = 729.42 | Dx = 1.371 Mg m−3 |
Monoclinic, P21/n | Melting point = 402–403 K |
Hall symbol: -P 2yn | Mo Kα radiation, λ = 0.71073 Å |
a = 9.9262 (8) Å | Cell parameters from 5905 reflections |
b = 22.5490 (19) Å | θ = 2.2–27.0° |
c = 15.8900 (13) Å | µ = 0.77 mm−1 |
β = 96.430 (1)° | T = 295 K |
V = 3534.2 (5) Å3 | Prism, pale yellow |
Z = 4 | 0.30 × 0.13 × 0.12 mm |
Bruker SMART APEX diffractometer | 8041 independent reflections |
Radiation source: fine-focus sealed tube | 7322 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.026 |
φ and ω scans | θmax = 27.5°, θmin = 1.6° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −12→12 |
Tmin = 0.802, Tmax = 0.913 | k = −29→29 |
30178 measured reflections | l = −19→20 |
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)] = 0.047 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.104 | H-atom parameters constrained |
S = 1.19 | w = 1/[σ2(Fo2) + (0.0387P)2 + 2.377P] where P = (Fo2 + 2Fc2)/3 |
8041 reflections | (Δ/σ)max = 0.001 |
421 parameters | Δρmax = 0.92 e Å−3 |
0 restraints | Δρmin = −0.73 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 | 0.74745 (2) | 0.135881 (9) | 0.291224 (12) | 0.04055 (8) | |
N1 | 0.5837 (4) | 0.13692 (15) | −0.1506 (2) | 0.0672 (9) | |
N2 | 1.0427 (3) | 0.05650 (13) | −0.13404 (19) | 0.0589 (7) | |
O1 | 0.7560 (2) | 0.13738 (10) | 0.16105 (13) | 0.0533 (6) | |
O2 | 0.9559 (3) | 0.09160 (14) | 0.17121 (15) | 0.0693 (7) | |
O3 | 0.4835 (3) | 0.14266 (17) | −0.1151 (2) | 0.1006 (12) | |
O4 | 0.5882 (4) | 0.14637 (17) | −0.2250 (2) | 0.0986 (11) | |
O5 | 1.0320 (4) | 0.05832 (17) | −0.21072 (18) | 0.1012 (12) | |
O6 | 1.1416 (3) | 0.03785 (13) | −0.09045 (18) | 0.0716 (7) | |
C1 | 0.8551 (3) | 0.11103 (15) | 0.1301 (2) | 0.0487 (7) | |
C2 | 0.8367 (3) | 0.10493 (13) | 0.03521 (18) | 0.0412 (6) | |
C3 | 0.7177 (3) | 0.12241 (14) | −0.0121 (2) | 0.0463 (7) | |
H3 | 0.6453 | 0.1368 | 0.0142 | 0.056* | |
C4 | 0.7090 (3) | 0.11798 (14) | −0.0994 (2) | 0.0479 (7) | |
C5 | 0.8132 (3) | 0.09693 (14) | −0.1408 (2) | 0.0489 (7) | |
H5 | 0.8061 | 0.0949 | −0.1996 | 0.059* | |
C6 | 0.9283 (3) | 0.07899 (13) | −0.09176 (19) | 0.0458 (7) | |
C7 | 0.9421 (3) | 0.08217 (13) | −0.00483 (19) | 0.0433 (7) | |
H7 | 1.0213 | 0.0692 | 0.0266 | 0.052* | |
C8 | 0.9149 (3) | 0.19017 (14) | 0.3423 (2) | 0.0483 (7) | |
H8A | 0.9668 | 0.2007 | 0.2963 | 0.058* | |
H8B | 0.8785 | 0.2266 | 0.3629 | 0.058* | |
C9 | 1.0134 (3) | 0.16364 (15) | 0.4143 (2) | 0.0505 (8) | |
C10 | 1.1077 (4) | 0.11960 (19) | 0.3751 (3) | 0.0710 (11) | |
H10A | 1.1731 | 0.1042 | 0.4187 | 0.107* | |
H10B | 1.1538 | 0.1396 | 0.3333 | 0.107* | |
H10C | 1.0549 | 0.0875 | 0.3489 | 0.107* | |
C11 | 1.1005 (4) | 0.21461 (19) | 0.4566 (3) | 0.0720 (11) | |
H11A | 1.0430 | 0.2423 | 0.4813 | 0.108* | |
H11B | 1.1468 | 0.2344 | 0.4148 | 0.108* | |
H11C | 1.1657 | 0.1987 | 0.4999 | 0.108* | |
C12 | 0.9373 (3) | 0.13471 (14) | 0.4819 (2) | 0.0496 (7) | |
C13 | 0.9822 (4) | 0.08378 (18) | 0.5258 (2) | 0.0716 (11) | |
H13 | 1.0613 | 0.0654 | 0.5129 | 0.086* | |
C14 | 0.9128 (6) | 0.0598 (2) | 0.5878 (3) | 0.0836 (14) | |
H14 | 0.9454 | 0.0256 | 0.6157 | 0.100* | |
C15 | 0.7983 (5) | 0.08518 (19) | 0.6089 (2) | 0.0736 (12) | |
H15 | 0.7520 | 0.0686 | 0.6509 | 0.088* | |
C16 | 0.7509 (5) | 0.13578 (18) | 0.5675 (3) | 0.0706 (11) | |
H16 | 0.6721 | 0.1537 | 0.5816 | 0.085* | |
C17 | 0.8196 (4) | 0.16010 (16) | 0.5053 (2) | 0.0573 (8) | |
H17 | 0.7862 | 0.1945 | 0.4781 | 0.069* | |
C18 | 0.7601 (3) | 0.04275 (15) | 0.3182 (2) | 0.0580 (9) | |
H18A | 0.8038 | 0.0239 | 0.2735 | 0.070* | |
H18B | 0.8199 | 0.0377 | 0.3703 | 0.070* | |
C19 | 0.6284 (4) | 0.00829 (18) | 0.3275 (2) | 0.0649 (10) | |
C20 | 0.5809 (6) | 0.0252 (3) | 0.4124 (3) | 0.121 (2) | |
H20A | 0.5558 | 0.0663 | 0.4115 | 0.181* | |
H20B | 0.6530 | 0.0186 | 0.4569 | 0.181* | |
H20C | 0.5040 | 0.0014 | 0.4222 | 0.181* | |
C21 | 0.6598 (6) | −0.0587 (2) | 0.3270 (4) | 0.114 (2) | |
H21A | 0.7310 | −0.0675 | 0.3712 | 0.171* | |
H21B | 0.6880 | −0.0695 | 0.2733 | 0.171* | |
H21C | 0.5799 | −0.0806 | 0.3363 | 0.171* | |
C22 | 0.5193 (3) | 0.02146 (13) | 0.2541 (2) | 0.0452 (7) | |
C23 | 0.5523 (4) | 0.01950 (17) | 0.1725 (2) | 0.0616 (9) | |
H23 | 0.6397 | 0.0090 | 0.1624 | 0.074* | |
C24 | 0.4554 (6) | 0.0331 (2) | 0.1041 (3) | 0.0873 (14) | |
H24 | 0.4792 | 0.0327 | 0.0492 | 0.105* | |
C25 | 0.3268 (5) | 0.0468 (2) | 0.1182 (4) | 0.0893 (15) | |
H25 | 0.2623 | 0.0557 | 0.0729 | 0.107* | |
C26 | 0.2927 (4) | 0.04766 (19) | 0.1970 (4) | 0.0840 (14) | |
H26 | 0.2040 | 0.0563 | 0.2063 | 0.101* | |
C27 | 0.3870 (4) | 0.03587 (17) | 0.2641 (3) | 0.0645 (10) | |
H27 | 0.3612 | 0.0376 | 0.3186 | 0.077* | |
C28 | 0.5491 (3) | 0.17512 (16) | 0.2772 (2) | 0.0556 (8) | |
H28A | 0.5035 | 0.1620 | 0.2233 | 0.067* | |
H28B | 0.4997 | 0.1585 | 0.3210 | 0.067* | |
C29 | 0.5335 (4) | 0.24324 (16) | 0.2808 (2) | 0.0563 (8) | |
C30 | 0.3838 (4) | 0.2583 (2) | 0.2523 (3) | 0.0870 (14) | |
H30A | 0.3273 | 0.2402 | 0.2904 | 0.130* | |
H30B | 0.3592 | 0.2435 | 0.1960 | 0.130* | |
H30C | 0.3717 | 0.3005 | 0.2528 | 0.130* | |
C31 | 0.6194 (5) | 0.2722 (2) | 0.2190 (3) | 0.0837 (13) | |
H31A | 0.6037 | 0.3142 | 0.2180 | 0.126* | |
H31B | 0.5952 | 0.2562 | 0.1634 | 0.126* | |
H31C | 0.7135 | 0.2645 | 0.2365 | 0.126* | |
C32 | 0.5694 (3) | 0.26447 (15) | 0.3718 (2) | 0.0518 (8) | |
C33 | 0.4968 (4) | 0.24437 (18) | 0.4353 (3) | 0.0669 (10) | |
H33 | 0.4254 | 0.2181 | 0.4220 | 0.080* | |
C34 | 0.5283 (5) | 0.2626 (2) | 0.5189 (3) | 0.0858 (14) | |
H34 | 0.4773 | 0.2489 | 0.5606 | 0.103* | |
C35 | 0.6342 (6) | 0.3005 (2) | 0.5397 (3) | 0.0929 (17) | |
H35 | 0.6562 | 0.3124 | 0.5956 | 0.112* | |
C36 | 0.7063 (5) | 0.3205 (2) | 0.4788 (3) | 0.0831 (14) | |
H36 | 0.7787 | 0.3461 | 0.4931 | 0.100* | |
C37 | 0.6743 (4) | 0.30358 (16) | 0.3954 (3) | 0.0632 (10) | |
H37 | 0.7243 | 0.3188 | 0.3542 | 0.076* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.03781 (12) | 0.04560 (13) | 0.03841 (12) | 0.00234 (8) | 0.00496 (8) | −0.00421 (8) |
N1 | 0.059 (2) | 0.072 (2) | 0.066 (2) | 0.0034 (16) | −0.0154 (16) | −0.0092 (16) |
N2 | 0.072 (2) | 0.0563 (17) | 0.0518 (17) | 0.0120 (15) | 0.0193 (15) | −0.0038 (13) |
O1 | 0.0610 (14) | 0.0697 (15) | 0.0304 (10) | 0.0099 (11) | 0.0111 (9) | −0.0049 (10) |
O2 | 0.0528 (14) | 0.111 (2) | 0.0428 (13) | 0.0162 (14) | 0.0009 (11) | −0.0065 (13) |
O3 | 0.0593 (19) | 0.146 (3) | 0.092 (2) | 0.0278 (19) | −0.0125 (17) | −0.015 (2) |
O4 | 0.088 (2) | 0.137 (3) | 0.064 (2) | 0.001 (2) | −0.0268 (17) | 0.0103 (18) |
O5 | 0.119 (3) | 0.142 (3) | 0.0467 (16) | 0.048 (2) | 0.0290 (16) | −0.0002 (17) |
O6 | 0.0663 (17) | 0.0805 (19) | 0.0703 (17) | 0.0226 (14) | 0.0175 (14) | −0.0038 (14) |
C1 | 0.0467 (18) | 0.0580 (19) | 0.0416 (16) | −0.0056 (15) | 0.0060 (14) | −0.0022 (14) |
C2 | 0.0404 (15) | 0.0433 (16) | 0.0402 (15) | −0.0032 (12) | 0.0063 (12) | −0.0022 (12) |
C3 | 0.0443 (17) | 0.0455 (17) | 0.0499 (18) | −0.0024 (13) | 0.0082 (13) | −0.0021 (13) |
C4 | 0.0470 (18) | 0.0443 (16) | 0.0496 (18) | −0.0047 (13) | −0.0068 (14) | −0.0012 (13) |
C5 | 0.063 (2) | 0.0443 (17) | 0.0385 (15) | −0.0026 (15) | 0.0017 (14) | −0.0028 (13) |
C6 | 0.0527 (18) | 0.0415 (16) | 0.0444 (16) | −0.0017 (13) | 0.0103 (14) | −0.0042 (13) |
C7 | 0.0419 (16) | 0.0451 (16) | 0.0429 (16) | 0.0005 (13) | 0.0040 (12) | 0.0008 (13) |
C8 | 0.0457 (17) | 0.0479 (17) | 0.0517 (18) | −0.0058 (14) | 0.0068 (14) | −0.0036 (14) |
C9 | 0.0372 (16) | 0.0560 (19) | 0.0574 (19) | 0.0026 (14) | 0.0014 (14) | −0.0119 (15) |
C10 | 0.050 (2) | 0.084 (3) | 0.079 (3) | 0.0153 (19) | 0.0094 (19) | −0.013 (2) |
C11 | 0.052 (2) | 0.083 (3) | 0.079 (3) | −0.0103 (19) | −0.0017 (19) | −0.019 (2) |
C12 | 0.0518 (18) | 0.0511 (18) | 0.0427 (16) | 0.0074 (14) | −0.0093 (14) | −0.0085 (14) |
C13 | 0.081 (3) | 0.073 (3) | 0.056 (2) | 0.031 (2) | −0.013 (2) | −0.0029 (19) |
C14 | 0.130 (4) | 0.065 (3) | 0.051 (2) | 0.021 (3) | −0.008 (2) | 0.0099 (19) |
C15 | 0.111 (4) | 0.067 (3) | 0.0412 (19) | −0.009 (2) | 0.003 (2) | 0.0019 (17) |
C16 | 0.078 (3) | 0.077 (3) | 0.058 (2) | 0.006 (2) | 0.016 (2) | 0.001 (2) |
C17 | 0.062 (2) | 0.054 (2) | 0.056 (2) | 0.0111 (17) | 0.0087 (16) | 0.0062 (16) |
C18 | 0.0516 (19) | 0.0517 (19) | 0.067 (2) | −0.0024 (15) | −0.0126 (16) | 0.0049 (16) |
C19 | 0.068 (2) | 0.070 (2) | 0.053 (2) | −0.0205 (19) | −0.0109 (17) | 0.0123 (17) |
C20 | 0.125 (4) | 0.189 (6) | 0.047 (2) | −0.080 (4) | 0.004 (3) | 0.013 (3) |
C21 | 0.109 (4) | 0.067 (3) | 0.147 (5) | −0.028 (3) | −0.062 (4) | 0.043 (3) |
C22 | 0.0452 (17) | 0.0413 (16) | 0.0485 (17) | −0.0070 (13) | 0.0033 (13) | −0.0032 (13) |
C23 | 0.057 (2) | 0.071 (2) | 0.057 (2) | −0.0054 (18) | 0.0104 (17) | −0.0120 (18) |
C24 | 0.118 (4) | 0.093 (3) | 0.048 (2) | −0.026 (3) | −0.003 (2) | −0.002 (2) |
C25 | 0.078 (3) | 0.070 (3) | 0.108 (4) | −0.011 (2) | −0.039 (3) | 0.014 (3) |
C26 | 0.047 (2) | 0.061 (3) | 0.139 (5) | 0.0015 (18) | −0.009 (3) | −0.011 (3) |
C27 | 0.053 (2) | 0.064 (2) | 0.079 (3) | −0.0119 (17) | 0.0166 (19) | −0.0207 (19) |
C28 | 0.0395 (17) | 0.061 (2) | 0.065 (2) | 0.0064 (15) | 0.0011 (15) | −0.0185 (17) |
C29 | 0.053 (2) | 0.059 (2) | 0.055 (2) | 0.0134 (16) | 0.0002 (15) | −0.0049 (16) |
C30 | 0.070 (3) | 0.093 (3) | 0.090 (3) | 0.036 (2) | −0.023 (2) | −0.021 (3) |
C31 | 0.111 (4) | 0.072 (3) | 0.070 (3) | 0.015 (3) | 0.016 (3) | 0.013 (2) |
C32 | 0.0470 (18) | 0.0455 (17) | 0.062 (2) | 0.0151 (14) | 0.0016 (15) | −0.0069 (15) |
C33 | 0.057 (2) | 0.070 (2) | 0.075 (3) | 0.0148 (18) | 0.0160 (19) | −0.009 (2) |
C34 | 0.093 (3) | 0.098 (3) | 0.070 (3) | 0.040 (3) | 0.025 (3) | −0.001 (3) |
C35 | 0.100 (4) | 0.098 (4) | 0.076 (3) | 0.050 (3) | −0.015 (3) | −0.033 (3) |
C36 | 0.070 (3) | 0.069 (3) | 0.105 (4) | 0.021 (2) | −0.016 (3) | −0.036 (3) |
C37 | 0.055 (2) | 0.0487 (19) | 0.084 (3) | 0.0113 (16) | 0.0017 (19) | −0.0108 (18) |
Sn1—O1 | 2.080 (2) | C18—H18A | 0.9700 |
Sn1—C18 | 2.144 (3) | C18—H18B | 0.9700 |
Sn1—C28 | 2.147 (3) | C19—C20 | 1.527 (6) |
Sn1—C8 | 2.149 (3) | C19—C22 | 1.529 (5) |
N1—O3 | 1.204 (5) | C19—C21 | 1.542 (6) |
N1—O4 | 1.207 (5) | C20—H20A | 0.9600 |
N1—C4 | 1.471 (4) | C20—H20B | 0.9600 |
N2—O6 | 1.211 (4) | C20—H20C | 0.9600 |
N2—O5 | 1.212 (4) | C21—H21A | 0.9600 |
N2—C6 | 1.473 (4) | C21—H21B | 0.9600 |
O1—C1 | 1.293 (4) | C21—H21C | 0.9600 |
O2—C1 | 1.214 (4) | C22—C23 | 1.373 (5) |
C1—C2 | 1.504 (4) | C22—C27 | 1.379 (5) |
C2—C7 | 1.383 (4) | C23—C24 | 1.401 (6) |
C2—C3 | 1.384 (4) | C23—H23 | 0.9300 |
C3—C4 | 1.383 (4) | C24—C25 | 1.356 (7) |
C3—H3 | 0.9300 | C24—H24 | 0.9300 |
C4—C5 | 1.372 (5) | C25—C26 | 1.334 (7) |
C5—C6 | 1.370 (4) | C25—H25 | 0.9300 |
C5—H5 | 0.9300 | C26—C27 | 1.364 (6) |
C6—C7 | 1.375 (4) | C26—H26 | 0.9300 |
C7—H7 | 0.9300 | C27—H27 | 0.9300 |
C8—C9 | 1.540 (4) | C28—C29 | 1.546 (5) |
C8—H8A | 0.9700 | C28—H28A | 0.9700 |
C8—H8B | 0.9700 | C28—H28B | 0.9700 |
C9—C12 | 1.528 (5) | C29—C31 | 1.518 (6) |
C9—C10 | 1.543 (5) | C29—C32 | 1.526 (5) |
C9—C11 | 1.546 (5) | C29—C30 | 1.542 (5) |
C10—H10A | 0.9600 | C30—H30A | 0.9600 |
C10—H10B | 0.9600 | C30—H30B | 0.9600 |
C10—H10C | 0.9600 | C30—H30C | 0.9600 |
C11—H11A | 0.9600 | C31—H31A | 0.9600 |
C11—H11B | 0.9600 | C31—H31B | 0.9600 |
C11—H11C | 0.9600 | C31—H31C | 0.9600 |
C12—C17 | 1.389 (5) | C32—C33 | 1.381 (5) |
C12—C13 | 1.391 (5) | C32—C37 | 1.384 (5) |
C13—C14 | 1.374 (6) | C33—C34 | 1.391 (6) |
C13—H13 | 0.9300 | C33—H33 | 0.9300 |
C14—C15 | 1.347 (6) | C34—C35 | 1.367 (7) |
C14—H14 | 0.9300 | C34—H34 | 0.9300 |
C15—C16 | 1.373 (6) | C35—C36 | 1.344 (7) |
C15—H15 | 0.9300 | C35—H35 | 0.9300 |
C16—C17 | 1.376 (5) | C36—C37 | 1.382 (6) |
C16—H16 | 0.9300 | C36—H36 | 0.9300 |
C17—H17 | 0.9300 | C37—H37 | 0.9300 |
C18—C19 | 1.542 (5) | ||
O1—Sn1—C18 | 101.94 (13) | Sn1—C18—H18B | 107.6 |
O1—Sn1—C28 | 91.68 (12) | H18A—C18—H18B | 107.1 |
C18—Sn1—C28 | 117.18 (14) | C20—C19—C22 | 111.3 (4) |
O1—Sn1—C8 | 104.51 (11) | C20—C19—C21 | 109.4 (4) |
C18—Sn1—C8 | 117.18 (12) | C22—C19—C21 | 108.2 (3) |
C28—Sn1—C8 | 117.76 (13) | C20—C19—C18 | 107.9 (3) |
O3—N1—O4 | 124.3 (4) | C22—C19—C18 | 111.4 (3) |
O3—N1—C4 | 117.6 (3) | C21—C19—C18 | 108.6 (4) |
O4—N1—C4 | 118.1 (4) | C19—C20—H20A | 109.5 |
O6—N2—O5 | 124.1 (3) | C19—C20—H20B | 109.5 |
O6—N2—C6 | 118.4 (3) | H20A—C20—H20B | 109.5 |
O5—N2—C6 | 117.5 (3) | C19—C20—H20C | 109.5 |
C1—O1—Sn1 | 119.2 (2) | H20A—C20—H20C | 109.5 |
O2—C1—O1 | 125.3 (3) | H20B—C20—H20C | 109.5 |
O2—C1—C2 | 120.4 (3) | C19—C21—H21A | 109.5 |
O1—C1—C2 | 114.3 (3) | C19—C21—H21B | 109.5 |
C7—C2—C3 | 119.9 (3) | H21A—C21—H21B | 109.5 |
C7—C2—C1 | 118.8 (3) | C19—C21—H21C | 109.5 |
C3—C2—C1 | 121.3 (3) | H21A—C21—H21C | 109.5 |
C4—C3—C2 | 118.6 (3) | H21B—C21—H21C | 109.5 |
C4—C3—H3 | 120.7 | C23—C22—C27 | 116.6 (3) |
C2—C3—H3 | 120.7 | C23—C22—C19 | 119.4 (3) |
C5—C4—C3 | 122.7 (3) | C27—C22—C19 | 124.0 (3) |
C5—C4—N1 | 118.1 (3) | C22—C23—C24 | 120.6 (4) |
C3—C4—N1 | 119.2 (3) | C22—C23—H23 | 119.7 |
C6—C5—C4 | 117.0 (3) | C24—C23—H23 | 119.7 |
C6—C5—H5 | 121.5 | C25—C24—C23 | 120.0 (4) |
C4—C5—H5 | 121.5 | C25—C24—H24 | 120.0 |
C5—C6—C7 | 122.7 (3) | C23—C24—H24 | 120.0 |
C5—C6—N2 | 118.6 (3) | C26—C25—C24 | 120.0 (4) |
C7—C6—N2 | 118.7 (3) | C26—C25—H25 | 120.0 |
C6—C7—C2 | 119.1 (3) | C24—C25—H25 | 120.0 |
C6—C7—H7 | 120.5 | C25—C26—C27 | 120.5 (4) |
C2—C7—H7 | 120.5 | C25—C26—H26 | 119.7 |
C9—C8—Sn1 | 117.3 (2) | C27—C26—H26 | 119.7 |
C9—C8—H8A | 108.0 | C26—C27—C22 | 122.3 (4) |
Sn1—C8—H8A | 108.0 | C26—C27—H27 | 118.9 |
C9—C8—H8B | 108.0 | C22—C27—H27 | 118.9 |
Sn1—C8—H8B | 108.0 | C29—C28—Sn1 | 120.0 (2) |
H8A—C8—H8B | 107.2 | C29—C28—H28A | 107.3 |
C12—C9—C8 | 111.5 (3) | Sn1—C28—H28A | 107.3 |
C12—C9—C10 | 112.3 (3) | C29—C28—H28B | 107.3 |
C8—C9—C10 | 108.3 (3) | Sn1—C28—H28B | 107.3 |
C12—C9—C11 | 107.9 (3) | H28A—C28—H28B | 106.9 |
C8—C9—C11 | 108.2 (3) | C31—C29—C32 | 112.9 (3) |
C10—C9—C11 | 108.6 (3) | C31—C29—C30 | 107.9 (3) |
C9—C10—H10A | 109.5 | C32—C29—C30 | 108.9 (3) |
C9—C10—H10B | 109.5 | C31—C29—C28 | 109.7 (3) |
H10A—C10—H10B | 109.5 | C32—C29—C28 | 109.4 (3) |
C9—C10—H10C | 109.5 | C30—C29—C28 | 107.8 (3) |
H10A—C10—H10C | 109.5 | C29—C30—H30A | 109.5 |
H10B—C10—H10C | 109.5 | C29—C30—H30B | 109.5 |
C9—C11—H11A | 109.5 | H30A—C30—H30B | 109.5 |
C9—C11—H11B | 109.5 | C29—C30—H30C | 109.5 |
H11A—C11—H11B | 109.5 | H30A—C30—H30C | 109.5 |
C9—C11—H11C | 109.5 | H30B—C30—H30C | 109.5 |
H11A—C11—H11C | 109.5 | C29—C31—H31A | 109.5 |
H11B—C11—H11C | 109.5 | C29—C31—H31B | 109.5 |
C17—C12—C13 | 116.0 (4) | H31A—C31—H31B | 109.5 |
C17—C12—C9 | 120.6 (3) | C29—C31—H31C | 109.5 |
C13—C12—C9 | 123.3 (3) | H31A—C31—H31C | 109.5 |
C14—C13—C12 | 121.7 (4) | H31B—C31—H31C | 109.5 |
C14—C13—H13 | 119.1 | C33—C32—C37 | 116.7 (4) |
C12—C13—H13 | 119.1 | C33—C32—C29 | 120.3 (3) |
C15—C14—C13 | 121.1 (4) | C37—C32—C29 | 123.1 (3) |
C15—C14—H14 | 119.5 | C32—C33—C34 | 121.4 (4) |
C13—C14—H14 | 119.5 | C32—C33—H33 | 119.3 |
C14—C15—C16 | 119.1 (4) | C34—C33—H33 | 119.3 |
C14—C15—H15 | 120.4 | C35—C34—C33 | 120.0 (5) |
C16—C15—H15 | 120.4 | C35—C34—H34 | 120.0 |
C15—C16—C17 | 120.3 (4) | C33—C34—H34 | 120.0 |
C15—C16—H16 | 119.9 | C36—C35—C34 | 119.6 (4) |
C17—C16—H16 | 119.9 | C36—C35—H35 | 120.2 |
C16—C17—C12 | 121.8 (3) | C34—C35—H35 | 120.2 |
C16—C17—H17 | 119.1 | C35—C36—C37 | 120.9 (5) |
C12—C17—H17 | 119.1 | C35—C36—H36 | 119.5 |
C19—C18—Sn1 | 118.8 (2) | C37—C36—H36 | 119.5 |
C19—C18—H18A | 107.6 | C36—C37—C32 | 121.4 (4) |
Sn1—C18—H18A | 107.6 | C36—C37—H37 | 119.3 |
C19—C18—H18B | 107.6 | C32—C37—H37 | 119.3 |
C18—Sn1—O1—C1 | −53.7 (3) | C14—C15—C16—C17 | 0.2 (7) |
C28—Sn1—O1—C1 | −172.0 (3) | C15—C16—C17—C12 | 0.3 (6) |
C8—Sn1—O1—C1 | 68.7 (3) | C13—C12—C17—C16 | −0.7 (5) |
Sn1—O1—C1—O2 | −10.5 (5) | C9—C12—C17—C16 | −178.3 (3) |
Sn1—O1—C1—C2 | 168.8 (2) | O1—Sn1—C18—C19 | −98.9 (3) |
O2—C1—C2—C7 | −6.3 (5) | C28—Sn1—C18—C19 | −0.8 (3) |
O1—C1—C2—C7 | 174.3 (3) | C8—Sn1—C18—C19 | 147.7 (3) |
O2—C1—C2—C3 | 174.6 (3) | Sn1—C18—C19—C20 | −73.8 (4) |
O1—C1—C2—C3 | −4.7 (4) | Sn1—C18—C19—C22 | 48.7 (4) |
C7—C2—C3—C4 | −1.7 (5) | Sn1—C18—C19—C21 | 167.7 (3) |
C1—C2—C3—C4 | 177.4 (3) | C20—C19—C22—C23 | 168.1 (4) |
C2—C3—C4—C5 | 0.1 (5) | C21—C19—C22—C23 | −71.7 (5) |
C2—C3—C4—N1 | −179.4 (3) | C18—C19—C22—C23 | 47.6 (5) |
O3—N1—C4—C5 | 163.8 (4) | C20—C19—C22—C27 | −11.5 (5) |
O4—N1—C4—C5 | −17.0 (5) | C21—C19—C22—C27 | 108.7 (4) |
O3—N1—C4—C3 | −16.7 (5) | C18—C19—C22—C27 | −132.0 (4) |
O4—N1—C4—C3 | 162.5 (3) | C27—C22—C23—C24 | 1.5 (5) |
C3—C4—C5—C6 | 1.2 (5) | C19—C22—C23—C24 | −178.1 (4) |
N1—C4—C5—C6 | −179.3 (3) | C22—C23—C24—C25 | −1.7 (7) |
C4—C5—C6—C7 | −0.8 (5) | C23—C24—C25—C26 | 0.3 (7) |
C4—C5—C6—N2 | −179.6 (3) | C24—C25—C26—C27 | 1.3 (7) |
O6—N2—C6—C5 | −176.3 (3) | C25—C26—C27—C22 | −1.5 (7) |
O5—N2—C6—C5 | 4.3 (5) | C23—C22—C27—C26 | 0.0 (5) |
O6—N2—C6—C7 | 4.9 (5) | C19—C22—C27—C26 | 179.6 (4) |
O5—N2—C6—C7 | −174.5 (3) | O1—Sn1—C28—C29 | −91.4 (3) |
C5—C6—C7—C2 | −0.7 (5) | C18—Sn1—C28—C29 | 164.2 (3) |
N2—C6—C7—C2 | 178.0 (3) | C8—Sn1—C28—C29 | 16.0 (3) |
C3—C2—C7—C6 | 2.0 (4) | Sn1—C28—C29—C31 | 52.2 (4) |
C1—C2—C7—C6 | −177.1 (3) | Sn1—C28—C29—C32 | −72.2 (3) |
O1—Sn1—C8—C9 | −128.6 (2) | Sn1—C28—C29—C30 | 169.5 (3) |
C18—Sn1—C8—C9 | −16.7 (3) | C31—C29—C32—C33 | 177.2 (3) |
C28—Sn1—C8—C9 | 131.6 (2) | C30—C29—C32—C33 | 57.4 (4) |
Sn1—C8—C9—C12 | −46.6 (3) | C28—C29—C32—C33 | −60.3 (4) |
Sn1—C8—C9—C10 | 77.4 (3) | C31—C29—C32—C37 | −3.3 (5) |
Sn1—C8—C9—C11 | −165.1 (2) | C30—C29—C32—C37 | −123.1 (4) |
C8—C9—C12—C17 | −38.0 (4) | C28—C29—C32—C37 | 119.2 (3) |
C10—C9—C12—C17 | −159.7 (3) | C37—C32—C33—C34 | −0.2 (5) |
C11—C9—C12—C17 | 80.7 (4) | C29—C32—C33—C34 | 179.4 (3) |
C8—C9—C12—C13 | 144.6 (3) | C32—C33—C34—C35 | −0.9 (6) |
C10—C9—C12—C13 | 22.8 (5) | C33—C34—C35—C36 | 0.8 (7) |
C11—C9—C12—C13 | −96.8 (4) | C34—C35—C36—C37 | 0.4 (7) |
C17—C12—C13—C14 | 0.8 (6) | C35—C36—C37—C32 | −1.6 (6) |
C9—C12—C13—C14 | 178.3 (4) | C33—C32—C37—C36 | 1.4 (5) |
C12—C13—C14—C15 | −0.4 (7) | C29—C32—C37—C36 | −178.1 (3) |
C13—C14—C15—C16 | −0.1 (7) |