Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680700058X/ng2199sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680700058X/ng2199Isup2.hkl |
CCDC reference: 636762
Data collection: CAD-4 EXPRESS (Enraf–Nonius, 1994); cell refinement: CAD-4 EXPRESS; data reduction: GENHKL (Kretschmar, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON99 (Spek, 1999); software used to prepare material for publication: SHELXL97.
(C4H12N)[Sn(C6H5)3(C14H9O3)2] | F(000) = 1800 |
Mr = 874.56 | Dx = 1.377 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 9.7481 (11) Å | Cell parameters from 25 reflections |
b = 29.787 (5) Å | θ = 13.2–13.8° |
c = 14.704 (5) Å | µ = 0.66 mm−1 |
β = 98.793 (14)° | T = 293 K |
V = 4219.3 (16) Å3 | Prism, colourless |
Z = 4 | 0.50 × 0.30 × 0.30 mm |
Enraf–Nonius MACH3 diffractometer | 6852 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.054 |
Graphite monochromator | θmax = 34.2°, θmin = 2.2° |
ω scans | h = −15→0 |
Absorption correction: empirical (using intensity measurements) ψ scan (North et al., 1968) | k = 0→47 |
Tmin = 0.735, Tmax = 0.827 | l = −23→23 |
18605 measured reflections | 3 standard reflections every 120 min |
17529 independent reflections | intensity decay: none |
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)] = 0.053 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.121 | H-atom parameters constrained |
S = 0.96 | w = 1/[σ2(Fo2) + (0.0351P)2] where P = (Fo2 + 2Fc2)/3 |
17529 reflections | (Δ/σ)max = 0.001 |
527 parameters | Δρmax = 0.66 e Å−3 |
0 restraints | Δρmin = −1.88 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 | 0.05137 (2) | 0.120998 (6) | 0.701655 (14) | 0.03251 (6) | |
O41 | 0.1075 (2) | 0.19325 (7) | 0.68249 (15) | 0.0426 (5) | |
O42 | 0.3198 (2) | 0.20560 (7) | 0.76120 (17) | 0.0523 (6) | |
O43 | 0.4707 (3) | 0.26604 (9) | 0.64239 (17) | 0.0667 (8) | |
O61 | −0.0244 (2) | 0.05184 (6) | 0.71583 (14) | 0.0383 (5) | |
O62 | −0.2021 (2) | 0.07088 (8) | 0.78754 (18) | 0.0595 (7) | |
O63 | 0.0909 (3) | −0.04671 (10) | 0.6440 (2) | 0.0854 (10) | |
C11 | −0.1295 (3) | 0.13715 (10) | 0.6065 (2) | 0.0352 (7) | |
C12 | −0.1661 (3) | 0.10951 (11) | 0.5312 (2) | 0.0449 (8) | |
H12 | −0.1178 | 0.0829 | 0.5271 | 0.054* | |
C13 | −0.2726 (4) | 0.12056 (14) | 0.4619 (3) | 0.0614 (10) | |
H13 | −0.2944 | 0.1015 | 0.4117 | 0.074* | |
C14 | −0.3464 (4) | 0.15923 (15) | 0.4662 (3) | 0.0669 (11) | |
H14 | −0.4176 | 0.1668 | 0.4191 | 0.080* | |
C15 | −0.3137 (4) | 0.18682 (13) | 0.5415 (3) | 0.0667 (12) | |
H15 | −0.3647 | 0.2129 | 0.5461 | 0.080* | |
C16 | −0.2057 (4) | 0.17603 (11) | 0.6103 (3) | 0.0503 (9) | |
H16 | −0.1838 | 0.1953 | 0.6601 | 0.060* | |
C21 | 0.0865 (3) | 0.13229 (10) | 0.8466 (2) | 0.0382 (7) | |
C22 | 0.0685 (4) | 0.17350 (12) | 0.8858 (3) | 0.0582 (10) | |
H22 | 0.0373 | 0.1976 | 0.8480 | 0.070* | |
C23 | 0.0957 (5) | 0.17984 (15) | 0.9797 (3) | 0.0795 (14) | |
H23 | 0.0823 | 0.2079 | 1.0045 | 0.095* | |
C24 | 0.1427 (5) | 0.14456 (19) | 1.0369 (3) | 0.0828 (15) | |
H24 | 0.1604 | 0.1486 | 1.1003 | 0.099* | |
C25 | 0.1633 (4) | 0.10334 (16) | 0.9990 (3) | 0.0717 (12) | |
H25 | 0.1975 | 0.0796 | 1.0369 | 0.086* | |
C26 | 0.1332 (4) | 0.09715 (12) | 0.9051 (2) | 0.0523 (9) | |
H26 | 0.1445 | 0.0689 | 0.8805 | 0.063* | |
C31 | 0.2143 (3) | 0.09266 (10) | 0.6381 (2) | 0.0360 (7) | |
C32 | 0.3432 (3) | 0.11260 (11) | 0.6441 (2) | 0.0481 (9) | |
H32 | 0.3590 | 0.1397 | 0.6753 | 0.058* | |
C33 | 0.4497 (4) | 0.09351 (14) | 0.6049 (3) | 0.0621 (11) | |
H33 | 0.5361 | 0.1074 | 0.6110 | 0.075* | |
C34 | 0.4270 (4) | 0.05410 (13) | 0.5571 (3) | 0.0604 (10) | |
H34 | 0.4983 | 0.0410 | 0.5309 | 0.073* | |
C35 | 0.2995 (4) | 0.03394 (12) | 0.5478 (3) | 0.0629 (11) | |
H35 | 0.2837 | 0.0075 | 0.5143 | 0.075* | |
C36 | 0.1941 (4) | 0.05293 (11) | 0.5883 (2) | 0.0520 (9) | |
H36 | 0.1081 | 0.0388 | 0.5820 | 0.062* | |
C41 | 0.2087 (3) | 0.21802 (10) | 0.7176 (2) | 0.0356 (7) | |
C42 | 0.1822 (3) | 0.26829 (10) | 0.7067 (2) | 0.0338 (7) | |
C43 | 0.0486 (4) | 0.28496 (11) | 0.6975 (2) | 0.0470 (8) | |
H43 | −0.0260 | 0.2652 | 0.6924 | 0.056* | |
C44 | 0.0243 (4) | 0.33082 (12) | 0.6957 (2) | 0.0566 (10) | |
H44 | −0.0661 | 0.3417 | 0.6892 | 0.068* | |
C45 | 0.1343 (4) | 0.36020 (12) | 0.7035 (3) | 0.0583 (10) | |
H45 | 0.1183 | 0.3910 | 0.7034 | 0.070* | |
C46 | 0.2684 (4) | 0.34403 (11) | 0.7117 (2) | 0.0524 (9) | |
H46 | 0.3424 | 0.3640 | 0.7164 | 0.063* | |
C47 | 0.2937 (3) | 0.29816 (10) | 0.7129 (2) | 0.0382 (7) | |
C48 | 0.4400 (4) | 0.28256 (11) | 0.7118 (2) | 0.0428 (8) | |
C49 | 0.5466 (3) | 0.29081 (10) | 0.7944 (2) | 0.0396 (7) | |
C50 | 0.5108 (4) | 0.30348 (12) | 0.8785 (2) | 0.0528 (9) | |
H50 | 0.4182 | 0.3082 | 0.8841 | 0.063* | |
C51 | 0.6123 (5) | 0.30904 (14) | 0.9537 (3) | 0.0695 (12) | |
H51 | 0.5878 | 0.3180 | 1.0096 | 0.083* | |
C52 | 0.7492 (5) | 0.30157 (15) | 0.9470 (3) | 0.0742 (13) | |
H52 | 0.8168 | 0.3050 | 0.9984 | 0.089* | |
C53 | 0.7865 (4) | 0.28910 (13) | 0.8643 (3) | 0.0643 (11) | |
H53 | 0.8794 | 0.2842 | 0.8597 | 0.077* | |
C54 | 0.6859 (4) | 0.28388 (11) | 0.7879 (3) | 0.0492 (9) | |
H54 | 0.7115 | 0.2757 | 0.7319 | 0.059* | |
C61 | −0.1389 (3) | 0.04399 (10) | 0.7468 (2) | 0.0380 (7) | |
C62 | −0.1970 (3) | −0.00272 (10) | 0.7274 (2) | 0.0392 (7) | |
C63 | −0.3387 (4) | −0.00844 (12) | 0.7236 (3) | 0.0524 (9) | |
H63 | −0.3932 | 0.0156 | 0.7371 | 0.063* | |
C64 | −0.4001 (4) | −0.04973 (14) | 0.6997 (3) | 0.0695 (12) | |
H64 | −0.4951 | −0.0534 | 0.6984 | 0.083* | |
C65 | −0.3219 (5) | −0.08466 (13) | 0.6784 (3) | 0.0752 (13) | |
H65 | −0.3638 | −0.1121 | 0.6616 | 0.090* | |
C66 | −0.1823 (5) | −0.07988 (11) | 0.6813 (3) | 0.0645 (11) | |
H66 | −0.1299 | −0.1041 | 0.6665 | 0.077* | |
C67 | −0.1170 (4) | −0.03903 (10) | 0.7062 (2) | 0.0456 (8) | |
C68 | 0.0386 (4) | −0.03697 (11) | 0.7104 (3) | 0.0539 (10) | |
C69 | 0.1260 (4) | −0.02751 (11) | 0.8003 (3) | 0.0530 (10) | |
C70 | 0.0771 (4) | −0.03359 (12) | 0.8829 (3) | 0.0624 (11) | |
H70 | −0.0143 | −0.0426 | 0.8826 | 0.075* | |
C71 | 0.1616 (5) | −0.02650 (15) | 0.9657 (3) | 0.0853 (15) | |
H71 | 0.1280 | −0.0311 | 1.0209 | 0.102* | |
C72 | 0.2967 (7) | −0.01256 (17) | 0.9659 (5) | 0.109 (2) | |
H72 | 0.3547 | −0.0073 | 1.0212 | 0.131* | |
C73 | 0.3450 (5) | −0.00648 (18) | 0.8831 (5) | 0.108 (2) | |
H73 | 0.4359 | 0.0030 | 0.8831 | 0.130* | |
C74 | 0.2612 (4) | −0.01418 (13) | 0.8013 (4) | 0.0745 (13) | |
H74 | 0.2957 | −0.0104 | 0.7462 | 0.089* | |
N1 | 0.1092 (3) | 0.34922 (10) | 0.4033 (2) | 0.0514 (8) | |
C1 | 0.1423 (4) | 0.33287 (12) | 0.3134 (2) | 0.0609 (10) | |
H1A | 0.1758 | 0.3574 | 0.2807 | 0.091* | |
H1B | 0.0600 | 0.3207 | 0.2777 | 0.091* | |
H1C | 0.2122 | 0.3100 | 0.3240 | 0.091* | |
C2 | 0.0415 (6) | 0.31328 (16) | 0.4493 (3) | 0.114 (2) | |
H2A | −0.0365 | 0.3019 | 0.4080 | 0.171* | |
H2B | 0.0102 | 0.3251 | 0.5033 | 0.171* | |
H2C | 0.1066 | 0.2895 | 0.4666 | 0.171* | |
C3 | 0.2387 (5) | 0.36385 (16) | 0.4622 (3) | 0.0860 (14) | |
H3A | 0.2960 | 0.3382 | 0.4801 | 0.129* | |
H3B | 0.2161 | 0.3785 | 0.5161 | 0.129* | |
H3C | 0.2880 | 0.3843 | 0.4285 | 0.129* | |
C4 | 0.0155 (5) | 0.38824 (16) | 0.3847 (4) | 0.1048 (18) | |
H4A | 0.0614 | 0.4115 | 0.3556 | 0.157* | |
H4B | −0.0085 | 0.3992 | 0.4416 | 0.157* | |
H4C | −0.0673 | 0.3793 | 0.3448 | 0.157* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.03241 (10) | 0.02840 (9) | 0.03730 (11) | −0.00026 (11) | 0.00720 (8) | −0.00198 (11) |
O41 | 0.0452 (13) | 0.0312 (11) | 0.0498 (14) | −0.0095 (10) | 0.0017 (11) | 0.0003 (10) |
O42 | 0.0445 (15) | 0.0371 (13) | 0.0710 (17) | 0.0028 (11) | −0.0050 (13) | 0.0007 (12) |
O43 | 0.0619 (18) | 0.090 (2) | 0.0523 (16) | −0.0128 (15) | 0.0215 (14) | −0.0236 (15) |
O61 | 0.0373 (12) | 0.0272 (10) | 0.0521 (14) | −0.0021 (9) | 0.0119 (11) | −0.0011 (10) |
O62 | 0.0527 (16) | 0.0447 (14) | 0.087 (2) | −0.0006 (12) | 0.0284 (14) | −0.0227 (13) |
O63 | 0.089 (2) | 0.076 (2) | 0.101 (2) | 0.0003 (17) | 0.045 (2) | −0.0377 (18) |
C11 | 0.0303 (16) | 0.0316 (15) | 0.0446 (18) | −0.0001 (13) | 0.0091 (14) | 0.0010 (14) |
C12 | 0.0378 (19) | 0.045 (2) | 0.051 (2) | 0.0036 (15) | 0.0024 (16) | −0.0090 (15) |
C13 | 0.045 (2) | 0.085 (3) | 0.051 (2) | −0.002 (2) | −0.0019 (17) | −0.014 (2) |
C14 | 0.047 (2) | 0.082 (3) | 0.068 (3) | 0.011 (2) | −0.003 (2) | 0.007 (2) |
C15 | 0.050 (2) | 0.048 (2) | 0.100 (4) | 0.0198 (19) | 0.004 (2) | 0.008 (2) |
C16 | 0.049 (2) | 0.0396 (19) | 0.061 (2) | 0.0070 (17) | 0.0037 (19) | −0.0067 (17) |
C21 | 0.0374 (18) | 0.0381 (18) | 0.0406 (18) | −0.0073 (13) | 0.0105 (14) | −0.0067 (14) |
C22 | 0.079 (3) | 0.046 (2) | 0.056 (2) | −0.009 (2) | 0.028 (2) | −0.0107 (18) |
C23 | 0.111 (4) | 0.071 (3) | 0.064 (3) | −0.031 (3) | 0.037 (3) | −0.031 (2) |
C24 | 0.087 (3) | 0.123 (4) | 0.039 (2) | −0.042 (3) | 0.011 (2) | −0.018 (3) |
C25 | 0.077 (3) | 0.086 (3) | 0.049 (3) | −0.011 (3) | −0.001 (2) | 0.011 (2) |
C26 | 0.058 (2) | 0.054 (2) | 0.043 (2) | −0.0058 (19) | 0.0052 (18) | 0.0011 (18) |
C31 | 0.0353 (17) | 0.0362 (17) | 0.0379 (18) | 0.0040 (14) | 0.0106 (14) | 0.0027 (14) |
C32 | 0.043 (2) | 0.047 (2) | 0.056 (2) | −0.0005 (16) | 0.0125 (17) | −0.0078 (16) |
C33 | 0.040 (2) | 0.072 (3) | 0.078 (3) | −0.002 (2) | 0.021 (2) | −0.011 (2) |
C34 | 0.055 (2) | 0.064 (3) | 0.067 (3) | 0.011 (2) | 0.023 (2) | −0.005 (2) |
C35 | 0.069 (3) | 0.050 (2) | 0.074 (3) | 0.006 (2) | 0.024 (2) | −0.021 (2) |
C36 | 0.051 (2) | 0.047 (2) | 0.061 (2) | −0.0039 (17) | 0.0188 (19) | −0.0114 (18) |
C41 | 0.0408 (19) | 0.0303 (15) | 0.0376 (18) | −0.0046 (14) | 0.0124 (15) | 0.0010 (13) |
C42 | 0.0404 (18) | 0.0294 (15) | 0.0328 (16) | −0.0026 (13) | 0.0098 (14) | −0.0018 (12) |
C43 | 0.047 (2) | 0.0432 (18) | 0.051 (2) | 0.0008 (18) | 0.0065 (16) | 0.0012 (18) |
C44 | 0.059 (3) | 0.055 (2) | 0.054 (2) | 0.0189 (19) | 0.003 (2) | 0.0008 (19) |
C45 | 0.082 (3) | 0.0309 (17) | 0.061 (2) | 0.010 (2) | 0.008 (2) | 0.0009 (17) |
C46 | 0.069 (3) | 0.0319 (17) | 0.057 (2) | −0.0104 (17) | 0.011 (2) | −0.0036 (16) |
C47 | 0.047 (2) | 0.0328 (16) | 0.0353 (17) | −0.0040 (15) | 0.0088 (15) | −0.0005 (13) |
C48 | 0.047 (2) | 0.0378 (18) | 0.046 (2) | −0.0110 (15) | 0.0160 (17) | −0.0024 (15) |
C49 | 0.044 (2) | 0.0306 (16) | 0.046 (2) | −0.0045 (14) | 0.0127 (16) | −0.0032 (14) |
C50 | 0.052 (2) | 0.058 (2) | 0.051 (2) | 0.0045 (18) | 0.0161 (19) | −0.0068 (18) |
C51 | 0.073 (3) | 0.087 (3) | 0.047 (2) | 0.013 (2) | 0.005 (2) | −0.019 (2) |
C52 | 0.062 (3) | 0.085 (3) | 0.068 (3) | 0.000 (2) | −0.013 (2) | −0.013 (2) |
C53 | 0.044 (2) | 0.062 (3) | 0.087 (3) | −0.0070 (19) | 0.010 (2) | −0.011 (2) |
C54 | 0.049 (2) | 0.045 (2) | 0.057 (2) | −0.0113 (17) | 0.0179 (18) | −0.0102 (17) |
C61 | 0.0361 (18) | 0.0297 (15) | 0.047 (2) | 0.0005 (14) | 0.0043 (15) | 0.0011 (14) |
C62 | 0.0435 (19) | 0.0312 (16) | 0.0430 (19) | −0.0061 (14) | 0.0067 (15) | −0.0015 (14) |
C63 | 0.042 (2) | 0.048 (2) | 0.067 (3) | −0.0049 (17) | 0.0088 (18) | −0.0019 (18) |
C64 | 0.049 (2) | 0.064 (3) | 0.093 (3) | −0.018 (2) | 0.004 (2) | 0.004 (2) |
C65 | 0.079 (3) | 0.046 (2) | 0.097 (3) | −0.026 (2) | 0.000 (3) | −0.001 (2) |
C66 | 0.077 (3) | 0.0321 (19) | 0.081 (3) | −0.0012 (19) | 0.002 (2) | −0.0021 (18) |
C67 | 0.052 (2) | 0.0327 (17) | 0.052 (2) | −0.0039 (16) | 0.0068 (17) | −0.0018 (15) |
C68 | 0.061 (3) | 0.0284 (16) | 0.074 (3) | 0.0061 (17) | 0.015 (2) | −0.0065 (18) |
C69 | 0.044 (2) | 0.0326 (18) | 0.082 (3) | 0.0113 (16) | 0.008 (2) | 0.0037 (18) |
C70 | 0.053 (2) | 0.052 (2) | 0.078 (3) | 0.0071 (19) | −0.004 (2) | 0.011 (2) |
C71 | 0.090 (4) | 0.070 (3) | 0.086 (4) | 0.015 (3) | −0.020 (3) | 0.020 (3) |
C72 | 0.099 (5) | 0.077 (4) | 0.125 (5) | 0.020 (3) | −0.064 (4) | 0.005 (4) |
C73 | 0.054 (3) | 0.092 (4) | 0.165 (6) | −0.001 (3) | −0.023 (4) | 0.017 (4) |
C74 | 0.040 (2) | 0.064 (3) | 0.118 (4) | 0.008 (2) | 0.009 (3) | 0.007 (3) |
N1 | 0.0556 (19) | 0.0507 (18) | 0.0485 (18) | −0.0116 (15) | 0.0104 (15) | −0.0034 (14) |
C1 | 0.070 (3) | 0.055 (2) | 0.059 (3) | −0.002 (2) | 0.015 (2) | −0.0128 (19) |
C2 | 0.166 (6) | 0.112 (4) | 0.068 (3) | −0.081 (4) | 0.028 (3) | 0.001 (3) |
C3 | 0.076 (3) | 0.106 (4) | 0.071 (3) | −0.028 (3) | −0.006 (2) | −0.011 (3) |
C4 | 0.103 (4) | 0.106 (4) | 0.108 (4) | 0.046 (3) | 0.027 (3) | −0.015 (3) |
Sn1—C11 | 2.132 (3) | C46—H46 | 0.9300 |
Sn1—C21 | 2.133 (3) | C47—C48 | 1.502 (4) |
Sn1—C31 | 2.136 (3) | C48—C49 | 1.493 (5) |
Sn1—O61 | 2.2092 (19) | C49—C50 | 1.387 (4) |
Sn1—O41 | 2.249 (2) | C49—C54 | 1.391 (4) |
O41—C41 | 1.276 (3) | C50—C51 | 1.376 (5) |
O42—C41 | 1.228 (4) | C50—H50 | 0.9300 |
O43—C48 | 1.211 (4) | C51—C52 | 1.371 (6) |
O61—C61 | 1.290 (4) | C51—H51 | 0.9300 |
O62—C61 | 1.221 (4) | C52—C53 | 1.372 (5) |
O63—C68 | 1.203 (4) | C52—H52 | 0.9300 |
C11—C16 | 1.381 (4) | C53—C54 | 1.382 (5) |
C11—C12 | 1.382 (4) | C53—H53 | 0.9300 |
C12—C13 | 1.378 (5) | C54—H54 | 0.9300 |
C12—H12 | 0.9300 | C61—C62 | 1.513 (4) |
C13—C14 | 1.365 (5) | C62—C63 | 1.384 (4) |
C13—H13 | 0.9300 | C62—C67 | 1.396 (4) |
C14—C15 | 1.376 (5) | C63—C64 | 1.389 (5) |
C14—H14 | 0.9300 | C63—H63 | 0.9300 |
C15—C16 | 1.382 (5) | C64—C65 | 1.355 (6) |
C15—H15 | 0.9300 | C64—H64 | 0.9300 |
C16—H16 | 0.9300 | C65—C66 | 1.362 (5) |
C21—C22 | 1.379 (4) | C65—H65 | 0.9300 |
C21—C26 | 1.387 (4) | C66—C67 | 1.396 (4) |
C22—C23 | 1.378 (5) | C66—H66 | 0.9300 |
C22—H22 | 0.9300 | C67—C68 | 1.510 (5) |
C23—C24 | 1.380 (6) | C68—C69 | 1.486 (5) |
C23—H23 | 0.9300 | C69—C74 | 1.375 (5) |
C24—C25 | 1.375 (6) | C69—C70 | 1.384 (5) |
C24—H24 | 0.9300 | C70—C71 | 1.378 (6) |
C25—C26 | 1.380 (5) | C70—H70 | 0.9300 |
C25—H25 | 0.9300 | C71—C72 | 1.381 (7) |
C26—H26 | 0.9300 | C71—H71 | 0.9300 |
C31—C32 | 1.381 (4) | C72—C73 | 1.383 (8) |
C31—C36 | 1.390 (4) | C72—H72 | 0.9300 |
C32—C33 | 1.384 (5) | C73—C74 | 1.366 (7) |
C32—H32 | 0.9300 | C73—H73 | 0.9300 |
C33—C34 | 1.369 (5) | C74—H74 | 0.9300 |
C33—H33 | 0.9300 | N1—C2 | 1.476 (5) |
C34—C35 | 1.368 (5) | N1—C4 | 1.478 (5) |
C34—H34 | 0.9300 | N1—C3 | 1.483 (5) |
C35—C36 | 1.384 (5) | N1—C1 | 1.488 (4) |
C35—H35 | 0.9300 | C1—H1A | 0.9600 |
C36—H36 | 0.9300 | C1—H1B | 0.9600 |
C41—C42 | 1.524 (4) | C1—H1C | 0.9600 |
C42—C43 | 1.382 (4) | C2—H2A | 0.9600 |
C42—C47 | 1.396 (4) | C2—H2B | 0.9600 |
C43—C44 | 1.386 (5) | C2—H2C | 0.9600 |
C43—H43 | 0.9300 | C3—H3A | 0.9600 |
C44—C45 | 1.375 (5) | C3—H3B | 0.9600 |
C44—H44 | 0.9300 | C3—H3C | 0.9600 |
C45—C46 | 1.381 (5) | C4—H4A | 0.9600 |
C45—H45 | 0.9300 | C4—H4B | 0.9600 |
C46—C47 | 1.388 (4) | C4—H4C | 0.9600 |
C11—Sn1—C21 | 127.64 (12) | C50—C49—C54 | 118.8 (3) |
C11—Sn1—C31 | 113.45 (12) | C50—C49—C48 | 122.1 (3) |
C21—Sn1—C31 | 118.86 (12) | C54—C49—C48 | 119.0 (3) |
C11—Sn1—O61 | 90.99 (10) | C51—C50—C49 | 120.1 (4) |
C21—Sn1—O61 | 93.31 (10) | C51—C50—H50 | 120.0 |
C31—Sn1—O61 | 87.39 (10) | C49—C50—H50 | 120.0 |
C11—Sn1—O41 | 83.95 (10) | C52—C51—C50 | 120.7 (4) |
C21—Sn1—O41 | 88.24 (10) | C52—C51—H51 | 119.6 |
C31—Sn1—O41 | 96.43 (10) | C50—C51—H51 | 119.6 |
O61—Sn1—O41 | 174.56 (8) | C51—C52—C53 | 120.0 (4) |
C41—O41—Sn1 | 133.7 (2) | C51—C52—H52 | 120.0 |
C61—O61—Sn1 | 121.49 (18) | C53—C52—H52 | 120.0 |
C16—C11—C12 | 117.2 (3) | C52—C53—C54 | 119.9 (4) |
C16—C11—Sn1 | 123.9 (2) | C52—C53—H53 | 120.0 |
C12—C11—Sn1 | 118.5 (2) | C54—C53—H53 | 120.0 |
C13—C12—C11 | 121.5 (3) | C53—C54—C49 | 120.4 (3) |
C13—C12—H12 | 119.2 | C53—C54—H54 | 119.8 |
C11—C12—H12 | 119.2 | C49—C54—H54 | 119.8 |
C14—C13—C12 | 120.7 (4) | O62—C61—O61 | 125.6 (3) |
C14—C13—H13 | 119.7 | O62—C61—C62 | 119.6 (3) |
C12—C13—H13 | 119.7 | O61—C61—C62 | 114.8 (3) |
C13—C14—C15 | 118.8 (4) | C63—C62—C67 | 118.9 (3) |
C13—C14—H14 | 120.6 | C63—C62—C61 | 117.6 (3) |
C15—C14—H14 | 120.6 | C67—C62—C61 | 123.3 (3) |
C14—C15—C16 | 120.5 (4) | C62—C63—C64 | 120.5 (4) |
C14—C15—H15 | 119.8 | C62—C63—H63 | 119.7 |
C16—C15—H15 | 119.8 | C64—C63—H63 | 119.7 |
C11—C16—C15 | 121.3 (3) | C65—C64—C63 | 120.2 (4) |
C11—C16—H16 | 119.4 | C65—C64—H64 | 119.9 |
C15—C16—H16 | 119.4 | C63—C64—H64 | 119.9 |
C22—C21—C26 | 117.6 (3) | C64—C65—C66 | 120.5 (4) |
C22—C21—Sn1 | 123.2 (3) | C64—C65—H65 | 119.8 |
C26—C21—Sn1 | 119.2 (2) | C66—C65—H65 | 119.8 |
C23—C22—C21 | 121.6 (4) | C65—C66—C67 | 120.8 (4) |
C23—C22—H22 | 119.2 | C65—C66—H66 | 119.6 |
C21—C22—H22 | 119.2 | C67—C66—H66 | 119.6 |
C22—C23—C24 | 120.1 (4) | C66—C67—C62 | 119.1 (3) |
C22—C23—H23 | 120.0 | C66—C67—C68 | 117.5 (3) |
C24—C23—H23 | 120.0 | C62—C67—C68 | 123.5 (3) |
C25—C24—C23 | 119.3 (4) | O63—C68—C69 | 120.7 (4) |
C25—C24—H24 | 120.4 | O63—C68—C67 | 120.3 (4) |
C23—C24—H24 | 120.4 | C69—C68—C67 | 118.7 (3) |
C24—C25—C26 | 120.2 (4) | C74—C69—C70 | 119.1 (4) |
C24—C25—H25 | 119.9 | C74—C69—C68 | 118.9 (4) |
C26—C25—H25 | 119.9 | C70—C69—C68 | 121.9 (4) |
C25—C26—C21 | 121.3 (4) | C71—C70—C69 | 121.1 (4) |
C25—C26—H26 | 119.4 | C71—C70—H70 | 119.5 |
C21—C26—H26 | 119.4 | C69—C70—H70 | 119.5 |
C32—C31—C36 | 117.0 (3) | C70—C71—C72 | 119.2 (5) |
C32—C31—Sn1 | 122.2 (2) | C70—C71—H71 | 120.4 |
C36—C31—Sn1 | 120.8 (2) | C72—C71—H71 | 120.4 |
C31—C32—C33 | 122.0 (3) | C71—C72—C73 | 119.4 (5) |
C31—C32—H32 | 119.0 | C71—C72—H72 | 120.3 |
C33—C32—H32 | 119.0 | C73—C72—H72 | 120.3 |
C34—C33—C32 | 119.6 (4) | C74—C73—C72 | 121.0 (5) |
C34—C33—H33 | 120.2 | C74—C73—H73 | 119.5 |
C32—C33—H33 | 120.2 | C72—C73—H73 | 119.5 |
C35—C34—C33 | 120.1 (4) | C73—C74—C69 | 120.1 (5) |
C35—C34—H34 | 120.0 | C73—C74—H74 | 119.9 |
C33—C34—H34 | 120.0 | C69—C74—H74 | 119.9 |
C34—C35—C36 | 120.0 (3) | C2—N1—C4 | 110.4 (4) |
C34—C35—H35 | 120.0 | C2—N1—C3 | 110.2 (3) |
C36—C35—H35 | 120.0 | C4—N1—C3 | 108.9 (3) |
C35—C36—C31 | 121.3 (3) | C2—N1—C1 | 110.1 (3) |
C35—C36—H36 | 119.3 | C4—N1—C1 | 107.7 (3) |
C31—C36—H36 | 119.3 | C3—N1—C1 | 109.5 (3) |
O42—C41—O41 | 127.0 (3) | N1—C1—H1A | 109.5 |
O42—C41—C42 | 118.2 (3) | N1—C1—H1B | 109.5 |
O41—C41—C42 | 114.7 (3) | H1A—C1—H1B | 109.5 |
C43—C42—C47 | 119.3 (3) | N1—C1—H1C | 109.5 |
C43—C42—C41 | 120.4 (3) | H1A—C1—H1C | 109.5 |
C47—C42—C41 | 120.1 (3) | H1B—C1—H1C | 109.5 |
C42—C43—C44 | 120.8 (3) | N1—C2—H2A | 109.5 |
C42—C43—H43 | 119.6 | N1—C2—H2B | 109.5 |
C44—C43—H43 | 119.6 | H2A—C2—H2B | 109.5 |
C45—C44—C43 | 119.8 (4) | N1—C2—H2C | 109.5 |
C45—C44—H44 | 120.1 | H2A—C2—H2C | 109.5 |
C43—C44—H44 | 120.1 | H2B—C2—H2C | 109.5 |
C44—C45—C46 | 120.1 (3) | N1—C3—H3A | 109.5 |
C44—C45—H45 | 120.0 | N1—C3—H3B | 109.5 |
C46—C45—H45 | 120.0 | H3A—C3—H3B | 109.5 |
C45—C46—C47 | 120.5 (3) | N1—C3—H3C | 109.5 |
C45—C46—H46 | 119.7 | H3A—C3—H3C | 109.5 |
C47—C46—H46 | 119.7 | H3B—C3—H3C | 109.5 |
C46—C47—C42 | 119.4 (3) | N1—C4—H4A | 109.5 |
C46—C47—C48 | 118.1 (3) | N1—C4—H4B | 109.5 |
C42—C47—C48 | 122.2 (3) | H4A—C4—H4B | 109.5 |
O43—C48—C49 | 121.4 (3) | N1—C4—H4C | 109.5 |
O43—C48—C47 | 119.5 (3) | H4A—C4—H4C | 109.5 |
C49—C48—C47 | 119.0 (3) | H4B—C4—H4C | 109.5 |
C11—Sn1—O41—C41 | 177.5 (3) | O41—C41—C42—C47 | −158.4 (3) |
C21—Sn1—O41—C41 | 49.4 (3) | C47—C42—C43—C44 | −1.0 (5) |
C31—Sn1—O41—C41 | −69.5 (3) | C41—C42—C43—C44 | 174.3 (3) |
O61—Sn1—O41—C41 | 156.0 (7) | C42—C43—C44—C45 | −0.2 (5) |
C11—Sn1—O61—C61 | −61.3 (2) | C43—C44—C45—C46 | 1.0 (6) |
C21—Sn1—O61—C61 | 66.5 (2) | C44—C45—C46—C47 | −0.6 (6) |
C31—Sn1—O61—C61 | −174.7 (2) | C45—C46—C47—C42 | −0.7 (5) |
O41—Sn1—O61—C61 | −39.9 (9) | C45—C46—C47—C48 | 173.7 (3) |
C21—Sn1—C11—C16 | 39.3 (3) | C43—C42—C47—C46 | 1.5 (5) |
C31—Sn1—C11—C16 | −138.2 (3) | C41—C42—C47—C46 | −173.8 (3) |
O61—Sn1—C11—C16 | 134.2 (3) | C43—C42—C47—C48 | −172.6 (3) |
O41—Sn1—C11—C16 | −43.8 (3) | C41—C42—C47—C48 | 12.1 (4) |
C21—Sn1—C11—C12 | −147.2 (2) | C46—C47—C48—O43 | −106.9 (4) |
C31—Sn1—C11—C12 | 35.3 (3) | C42—C47—C48—O43 | 67.2 (4) |
O61—Sn1—C11—C12 | −52.3 (3) | C46—C47—C48—C49 | 68.8 (4) |
O41—Sn1—C11—C12 | 129.7 (3) | C42—C47—C48—C49 | −117.1 (3) |
C16—C11—C12—C13 | 1.0 (5) | O43—C48—C49—C50 | −170.4 (3) |
Sn1—C11—C12—C13 | −172.9 (3) | C47—C48—C49—C50 | 14.0 (5) |
C11—C12—C13—C14 | −0.6 (6) | O43—C48—C49—C54 | 7.0 (5) |
C12—C13—C14—C15 | −0.7 (6) | C47—C48—C49—C54 | −168.6 (3) |
C13—C14—C15—C16 | 1.6 (6) | C54—C49—C50—C51 | 0.1 (5) |
C12—C11—C16—C15 | −0.1 (5) | C48—C49—C50—C51 | 177.5 (3) |
Sn1—C11—C16—C15 | 173.4 (3) | C49—C50—C51—C52 | −0.9 (6) |
C14—C15—C16—C11 | −1.2 (6) | C50—C51—C52—C53 | 1.0 (7) |
C11—Sn1—C21—C22 | −52.3 (3) | C51—C52—C53—C54 | −0.3 (7) |
C31—Sn1—C21—C22 | 125.1 (3) | C52—C53—C54—C49 | −0.6 (6) |
O61—Sn1—C21—C22 | −146.1 (3) | C50—C49—C54—C53 | 0.7 (5) |
O41—Sn1—C21—C22 | 28.7 (3) | C48—C49—C54—C53 | −176.9 (3) |
C11—Sn1—C21—C26 | 129.5 (3) | Sn1—O61—C61—O62 | −15.2 (5) |
C31—Sn1—C21—C26 | −53.2 (3) | Sn1—O61—C61—C62 | 163.38 (19) |
O61—Sn1—C21—C26 | 35.7 (3) | O62—C61—C62—C63 | 24.3 (5) |
O41—Sn1—C21—C26 | −149.5 (3) | O61—C61—C62—C63 | −154.4 (3) |
C26—C21—C22—C23 | 0.0 (6) | O62—C61—C62—C67 | −161.0 (3) |
Sn1—C21—C22—C23 | −178.3 (3) | O61—C61—C62—C67 | 20.3 (5) |
C21—C22—C23—C24 | 0.3 (7) | C67—C62—C63—C64 | 0.5 (5) |
C22—C23—C24—C25 | 0.6 (7) | C61—C62—C63—C64 | 175.5 (3) |
C23—C24—C25—C26 | −1.9 (7) | C62—C63—C64—C65 | −1.1 (6) |
C24—C25—C26—C21 | 2.2 (6) | C63—C64—C65—C66 | 0.9 (7) |
C22—C21—C26—C25 | −1.3 (5) | C64—C65—C66—C67 | 0.0 (7) |
Sn1—C21—C26—C25 | 177.1 (3) | C65—C66—C67—C62 | −0.6 (6) |
C11—Sn1—C31—C32 | 119.8 (3) | C65—C66—C67—C68 | 178.3 (4) |
C21—Sn1—C31—C32 | −57.9 (3) | C63—C62—C67—C66 | 0.3 (5) |
O61—Sn1—C31—C32 | −150.2 (3) | C61—C62—C67—C66 | −174.3 (3) |
O41—Sn1—C31—C32 | 33.6 (3) | C63—C62—C67—C68 | −178.4 (3) |
C11—Sn1—C31—C36 | −60.0 (3) | C61—C62—C67—C68 | 6.9 (5) |
C21—Sn1—C31—C36 | 122.3 (3) | C66—C67—C68—O63 | 56.5 (5) |
O61—Sn1—C31—C36 | 30.0 (3) | C62—C67—C68—O63 | −124.7 (4) |
O41—Sn1—C31—C36 | −146.2 (3) | C66—C67—C68—C69 | −117.0 (4) |
C36—C31—C32—C33 | −2.0 (5) | C62—C67—C68—C69 | 61.7 (5) |
Sn1—C31—C32—C33 | 178.2 (3) | O63—C68—C69—C74 | 23.1 (5) |
C31—C32—C33—C34 | 1.3 (6) | C67—C68—C69—C74 | −163.4 (3) |
C32—C33—C34—C35 | 0.4 (6) | O63—C68—C69—C70 | −154.1 (4) |
C33—C34—C35—C36 | −1.3 (6) | C67—C68—C69—C70 | 19.5 (5) |
C34—C35—C36—C31 | 0.6 (6) | C74—C69—C70—C71 | 0.0 (6) |
C32—C31—C36—C35 | 1.0 (5) | C68—C69—C70—C71 | 177.2 (3) |
Sn1—C31—C36—C35 | −179.2 (3) | C69—C70—C71—C72 | 0.8 (6) |
Sn1—O41—C41—O42 | 15.1 (5) | C70—C71—C72—C73 | −0.7 (8) |
Sn1—O41—C41—C42 | −161.87 (19) | C71—C72—C73—C74 | −0.2 (8) |
O42—C41—C42—C43 | −150.9 (3) | C72—C73—C74—C69 | 1.0 (8) |
O41—C41—C42—C43 | 26.4 (4) | C70—C69—C74—C73 | −0.9 (6) |
O42—C41—C42—C47 | 24.4 (4) | C68—C69—C74—C73 | −178.2 (4) |