Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806014929/bi2007sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806014929/bi2007Isup2.hkl |
CCDC reference: 277903
Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Sn(CH3)2(C7H12NS2)2] | Dx = 1.459 Mg m−3 |
Mr = 497.41 | Melting point = 415–416 K |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 76764 reflections |
a = 19.432 (3) Å | θ = 1.1–28.3° |
b = 12.512 (2) Å | µ = 1.50 mm−1 |
c = 37.267 (6) Å | T = 295 K |
V = 9061 (2) Å3 | Needle, colourless |
Z = 16 | 0.33 × 0.09 × 0.07 mm |
F(000) = 4064 |
Bruker SMART APEX CCD area-detector diffractometer | 11153 independent reflections |
Radiation source: normal-focus sealed tube | 5552 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.104 |
ω scans | θmax = 28.3°, θmin = 1.1° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −25→25 |
Tmin = 0.638, Tmax = 0.900 | k = −16→16 |
76764 measured reflections | l = −49→48 |
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)] = 0.058 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.110 | H-atom parameters constrained |
S = 1.00 | w = 1/[σ2(Fo2) + (0.0381P)2 + 1.2271P] where P = (Fo2 + 2Fc2)/3 |
11153 reflections | (Δ/σ)max = 0.001 |
423 parameters | Δρmax = 0.37 e Å−3 |
0 restraints | Δρmin = −0.32 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 | 0.727329 (18) | 0.03531 (3) | 0.209371 (9) | 0.05864 (12) | |
S1 | 0.58759 (8) | −0.02888 (11) | 0.22835 (5) | 0.0802 (5) | |
S2 | 0.64528 (8) | 0.18793 (10) | 0.22010 (4) | 0.0764 (4) | |
S3 | 0.86322 (7) | −0.03895 (10) | 0.18739 (4) | 0.0689 (4) | |
S4 | 0.81385 (7) | 0.18276 (10) | 0.19729 (4) | 0.0705 (4) | |
N1 | 0.5127 (2) | 0.1467 (4) | 0.22439 (12) | 0.0709 (12) | |
N2 | 0.9345 (2) | 0.1331 (3) | 0.16839 (12) | 0.0651 (12) | |
C1 | 0.5738 (3) | 0.1050 (4) | 0.22453 (13) | 0.0605 (14) | |
C2 | 0.4989 (3) | 0.2619 (4) | 0.22096 (17) | 0.0879 (19) | |
H2A | 0.5420 | 0.3008 | 0.2197 | 0.105* | |
H2B | 0.4737 | 0.2868 | 0.2418 | 0.105* | |
C3 | 0.4573 (3) | 0.2829 (5) | 0.18756 (19) | 0.103 (2) | |
H3A | 0.4855 | 0.2672 | 0.1667 | 0.124* | |
H3B | 0.4455 | 0.3581 | 0.1867 | 0.124* | |
C4 | 0.3913 (4) | 0.2173 (6) | 0.1852 (2) | 0.112 (2) | |
H4 | 0.3627 | 0.2375 | 0.2058 | 0.134* | |
C5 | 0.3517 (4) | 0.2428 (8) | 0.1525 (3) | 0.194 (5) | |
H5A | 0.3770 | 0.2199 | 0.1318 | 0.291* | |
H5B | 0.3442 | 0.3185 | 0.1513 | 0.291* | |
H5C | 0.3082 | 0.2066 | 0.1533 | 0.291* | |
C6 | 0.4103 (3) | 0.1015 (6) | 0.1900 (2) | 0.104 (2) | |
H6A | 0.3687 | 0.0588 | 0.1902 | 0.125* | |
H6B | 0.4380 | 0.0786 | 0.1698 | 0.125* | |
C7 | 0.4492 (3) | 0.0821 (5) | 0.22377 (19) | 0.098 (2) | |
H7A | 0.4207 | 0.1005 | 0.2442 | 0.117* | |
H7B | 0.4608 | 0.0069 | 0.2255 | 0.117* | |
C8 | 0.6953 (3) | −0.0155 (4) | 0.15799 (13) | 0.0781 (17) | |
H8A | 0.7008 | −0.0915 | 0.1561 | 0.117* | |
H8B | 0.7228 | 0.0191 | 0.1400 | 0.117* | |
H8C | 0.6478 | 0.0029 | 0.1545 | 0.117* | |
C9 | 0.7517 (3) | −0.0329 (5) | 0.25969 (14) | 0.0921 (19) | |
H9A | 0.7232 | −0.0015 | 0.2779 | 0.138* | |
H9B | 0.7992 | −0.0195 | 0.2652 | 0.138* | |
H9C | 0.7438 | −0.1086 | 0.2589 | 0.138* | |
C10 | 0.8774 (3) | 0.0951 (4) | 0.18230 (13) | 0.0582 (13) | |
C11 | 0.9875 (3) | 0.0647 (4) | 0.15238 (15) | 0.0759 (17) | |
H11A | 0.9849 | 0.0701 | 0.1265 | 0.091* | |
H11B | 0.9786 | −0.0091 | 0.1589 | 0.091* | |
C12 | 1.0586 (3) | 0.0951 (4) | 0.16450 (15) | 0.0766 (16) | |
H12A | 1.0922 | 0.0505 | 0.1524 | 0.092* | |
H12B | 1.0629 | 0.0826 | 0.1901 | 0.092* | |
C13 | 1.0736 (3) | 0.2129 (5) | 0.15637 (15) | 0.0760 (17) | |
H13 | 1.0710 | 0.2227 | 0.1303 | 0.091* | |
C14 | 1.1456 (3) | 0.2449 (6) | 0.16844 (19) | 0.126 (3) | |
H14A | 1.1557 | 0.3158 | 0.1600 | 0.189* | |
H14B | 1.1786 | 0.1957 | 0.1587 | 0.189* | |
H14C | 1.1480 | 0.2435 | 0.1942 | 0.189* | |
Sn2 | 0.554720 (19) | 0.84599 (3) | 0.042907 (10) | 0.06318 (12) | |
S5 | 0.49893 (7) | 0.66309 (11) | 0.04465 (4) | 0.0750 (4) | |
S6 | 0.40204 (9) | 0.83614 (13) | 0.02547 (5) | 0.0984 (6) | |
S7 | 0.65688 (7) | 0.74664 (10) | 0.06668 (4) | 0.0723 (4) | |
S8 | 0.67770 (8) | 0.97487 (10) | 0.04916 (4) | 0.0708 (4) | |
N3 | 0.3674 (2) | 0.6313 (4) | 0.02967 (12) | 0.0802 (14) | |
N4 | 0.7722 (2) | 0.8525 (3) | 0.08012 (12) | 0.0676 (12) | |
C15 | 1.0182 (3) | 0.2805 (4) | 0.17333 (15) | 0.0772 (16) | |
H15A | 1.0258 | 0.3547 | 0.1670 | 0.093* | |
H15B | 1.0217 | 0.2747 | 0.1992 | 0.093* | |
C16 | 0.9464 (3) | 0.2484 (4) | 0.16183 (16) | 0.0755 (16) | |
H16A | 0.9129 | 0.2900 | 0.1751 | 0.091* | |
H16B | 0.9405 | 0.2636 | 0.1365 | 0.091* | |
C17 | 0.2947 (3) | 0.6604 (5) | 0.02556 (19) | 0.105 (2) | |
H17A | 0.2761 | 0.6277 | 0.0040 | 0.125* | |
H17B | 0.2903 | 0.7373 | 0.0233 | 0.125* | |
C18 | 0.2552 (3) | 0.6217 (7) | 0.0582 (2) | 0.116 (3) | |
H18A | 0.2706 | 0.6616 | 0.0790 | 0.139* | |
H18B | 0.2068 | 0.6372 | 0.0547 | 0.139* | |
C19 | 0.2632 (4) | 0.5042 (7) | 0.06579 (19) | 0.113 (3) | |
H19 | 0.2435 | 0.4654 | 0.0454 | 0.136* | |
C20 | 0.2244 (4) | 0.4687 (8) | 0.0990 (2) | 0.174 (4) | |
H20A | 0.2280 | 0.3926 | 0.1015 | 0.261* | |
H20B | 0.1768 | 0.4884 | 0.0968 | 0.261* | |
H20C | 0.2438 | 0.5027 | 0.1198 | 0.261* | |
C21 | 0.3394 (3) | 0.4775 (5) | 0.06712 (18) | 0.103 (2) | |
H21A | 0.3593 | 0.5095 | 0.0884 | 0.123* | |
H21B | 0.3448 | 0.4006 | 0.0691 | 0.123* | |
C22 | 0.3781 (3) | 0.5162 (5) | 0.03468 (17) | 0.093 (2) | |
H22A | 0.4268 | 0.5018 | 0.0377 | 0.112* | |
H22B | 0.3624 | 0.4780 | 0.0136 | 0.112* | |
C23 | 0.4162 (3) | 0.7050 (4) | 0.03284 (14) | 0.0689 (15) | |
C24 | 0.5167 (3) | 0.9382 (4) | 0.08611 (14) | 0.0773 (16) | |
H24A | 0.5022 | 1.0068 | 0.0774 | 0.116* | |
H24B | 0.5524 | 0.9476 | 0.1037 | 0.116* | |
H24C | 0.4783 | 0.9021 | 0.0969 | 0.116* | |
C25 | 0.5657 (3) | 0.8733 (5) | −0.01257 (14) | 0.099 (2) | |
H25A | 0.5216 | 0.8673 | −0.0240 | 0.149* | |
H25B | 0.5966 | 0.8214 | −0.0225 | 0.149* | |
H25C | 0.5838 | 0.9437 | −0.0164 | 0.149* | |
C26 | 0.7099 (3) | 0.8601 (3) | 0.06691 (13) | 0.0569 (13) | |
C27 | 0.7992 (3) | 0.7557 (4) | 0.09834 (18) | 0.0873 (19) | |
H27A | 0.7976 | 0.7662 | 0.1241 | 0.105* | |
H27B | 0.7702 | 0.6950 | 0.0925 | 0.105* | |
C28 | 0.8701 (3) | 0.7326 (4) | 0.08748 (18) | 0.0883 (19) | |
H28A | 0.8702 | 0.7109 | 0.0625 | 0.106* | |
H28B | 0.8871 | 0.6730 | 0.1016 | 0.106* | |
C29 | 0.9184 (3) | 0.8260 (4) | 0.09202 (15) | 0.0691 (15) | |
H29 | 0.9193 | 0.8443 | 0.1176 | 0.083* | |
C30 | 0.9912 (3) | 0.8030 (5) | 0.08055 (18) | 0.110 (2) | |
H30A | 1.0056 | 0.7356 | 0.0904 | 0.166* | |
H30B | 1.0210 | 0.8586 | 0.0891 | 0.166* | |
H30C | 0.9935 | 0.8000 | 0.0548 | 0.166* | |
C31 | 0.8885 (3) | 0.9203 (4) | 0.07213 (15) | 0.0794 (17) | |
H31A | 0.9175 | 0.9822 | 0.0762 | 0.095* | |
H31B | 0.8891 | 0.9051 | 0.0466 | 0.095* | |
C32 | 0.8174 (3) | 0.9469 (4) | 0.08287 (17) | 0.0798 (17) | |
H32A | 0.8172 | 0.9729 | 0.1074 | 0.096* | |
H32B | 0.7998 | 1.0033 | 0.0675 | 0.096* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.0660 (2) | 0.0455 (2) | 0.0643 (2) | −0.00482 (18) | −0.00411 (19) | 0.00438 (18) |
S1 | 0.0795 (11) | 0.0485 (8) | 0.1127 (12) | −0.0081 (8) | 0.0157 (9) | 0.0131 (8) |
S2 | 0.0713 (10) | 0.0446 (7) | 0.1133 (12) | −0.0066 (7) | 0.0026 (9) | −0.0061 (8) |
S3 | 0.0710 (9) | 0.0444 (7) | 0.0914 (11) | −0.0031 (7) | −0.0032 (8) | 0.0026 (7) |
S4 | 0.0635 (9) | 0.0431 (7) | 0.1047 (11) | −0.0026 (7) | 0.0026 (8) | 0.0032 (7) |
N1 | 0.064 (3) | 0.064 (3) | 0.084 (3) | 0.000 (3) | 0.018 (3) | 0.003 (2) |
N2 | 0.061 (3) | 0.046 (3) | 0.088 (3) | −0.004 (2) | 0.001 (3) | 0.002 (2) |
C1 | 0.066 (4) | 0.054 (3) | 0.061 (3) | −0.003 (3) | 0.016 (3) | −0.002 (3) |
C2 | 0.092 (5) | 0.063 (4) | 0.108 (5) | 0.024 (3) | 0.014 (4) | −0.012 (3) |
C3 | 0.094 (5) | 0.079 (4) | 0.137 (6) | 0.001 (4) | −0.009 (5) | 0.034 (4) |
C4 | 0.079 (5) | 0.122 (6) | 0.135 (7) | −0.020 (5) | −0.001 (5) | 0.030 (5) |
C5 | 0.129 (8) | 0.228 (11) | 0.224 (11) | −0.037 (8) | −0.070 (8) | 0.093 (9) |
C6 | 0.073 (5) | 0.112 (6) | 0.127 (6) | −0.030 (4) | 0.011 (4) | 0.015 (5) |
C7 | 0.072 (4) | 0.094 (5) | 0.127 (6) | 0.004 (4) | 0.036 (4) | 0.026 (4) |
C8 | 0.077 (4) | 0.088 (4) | 0.069 (4) | −0.008 (3) | −0.007 (3) | −0.004 (3) |
C9 | 0.099 (5) | 0.109 (5) | 0.068 (4) | −0.013 (4) | −0.014 (3) | 0.019 (4) |
C10 | 0.068 (4) | 0.045 (3) | 0.062 (3) | −0.001 (3) | −0.013 (3) | 0.002 (2) |
C11 | 0.078 (4) | 0.059 (3) | 0.091 (4) | −0.003 (3) | 0.018 (3) | −0.006 (3) |
C12 | 0.068 (4) | 0.081 (4) | 0.080 (4) | 0.003 (3) | 0.019 (3) | 0.001 (3) |
C13 | 0.065 (4) | 0.095 (5) | 0.068 (4) | −0.016 (3) | 0.006 (3) | 0.001 (3) |
C14 | 0.080 (5) | 0.158 (7) | 0.140 (7) | −0.026 (5) | 0.021 (5) | −0.005 (5) |
Sn2 | 0.0691 (3) | 0.0528 (2) | 0.0677 (2) | 0.00510 (19) | −0.0073 (2) | 0.00538 (18) |
S5 | 0.0627 (9) | 0.0607 (8) | 0.1016 (11) | −0.0012 (7) | −0.0115 (8) | 0.0107 (8) |
S6 | 0.0851 (12) | 0.0766 (11) | 0.1335 (15) | 0.0090 (9) | −0.0349 (11) | 0.0113 (10) |
S7 | 0.0597 (9) | 0.0426 (7) | 0.1146 (13) | −0.0029 (6) | −0.0111 (9) | 0.0103 (7) |
S8 | 0.0749 (10) | 0.0440 (7) | 0.0935 (11) | 0.0030 (7) | −0.0071 (8) | 0.0094 (7) |
N3 | 0.066 (3) | 0.081 (4) | 0.093 (4) | −0.013 (3) | −0.017 (3) | 0.005 (3) |
N4 | 0.058 (3) | 0.043 (2) | 0.102 (4) | −0.003 (2) | −0.010 (3) | 0.005 (2) |
C15 | 0.079 (4) | 0.067 (4) | 0.085 (4) | −0.016 (3) | 0.012 (3) | −0.004 (3) |
C16 | 0.070 (4) | 0.054 (3) | 0.103 (5) | −0.008 (3) | 0.007 (4) | 0.009 (3) |
C17 | 0.072 (5) | 0.117 (6) | 0.125 (6) | −0.010 (4) | −0.037 (4) | 0.011 (5) |
C18 | 0.063 (5) | 0.169 (9) | 0.117 (6) | −0.012 (5) | −0.009 (4) | −0.003 (6) |
C19 | 0.108 (7) | 0.139 (7) | 0.093 (6) | −0.053 (5) | −0.005 (5) | 0.002 (5) |
C20 | 0.148 (8) | 0.244 (11) | 0.131 (7) | −0.036 (8) | 0.040 (6) | 0.039 (7) |
C21 | 0.095 (6) | 0.109 (5) | 0.104 (5) | −0.032 (4) | −0.020 (4) | 0.017 (4) |
C22 | 0.087 (5) | 0.085 (5) | 0.107 (5) | −0.017 (4) | −0.013 (4) | −0.006 (4) |
C23 | 0.066 (4) | 0.076 (4) | 0.065 (4) | −0.005 (3) | −0.010 (3) | 0.003 (3) |
C24 | 0.085 (4) | 0.070 (4) | 0.077 (4) | 0.014 (3) | 0.002 (3) | 0.000 (3) |
C25 | 0.123 (6) | 0.106 (5) | 0.069 (4) | −0.025 (4) | −0.006 (4) | 0.004 (4) |
C26 | 0.060 (3) | 0.041 (3) | 0.070 (4) | −0.003 (2) | 0.003 (3) | −0.003 (2) |
C27 | 0.066 (4) | 0.053 (3) | 0.142 (6) | 0.000 (3) | −0.018 (4) | 0.022 (4) |
C28 | 0.078 (4) | 0.056 (4) | 0.131 (6) | 0.006 (3) | −0.026 (4) | −0.007 (3) |
C29 | 0.064 (4) | 0.065 (4) | 0.079 (4) | −0.006 (3) | −0.005 (3) | −0.014 (3) |
C30 | 0.081 (5) | 0.114 (6) | 0.137 (6) | 0.008 (4) | −0.002 (4) | −0.035 (5) |
C31 | 0.074 (4) | 0.079 (4) | 0.085 (4) | −0.019 (3) | −0.007 (3) | −0.001 (3) |
C32 | 0.072 (4) | 0.048 (3) | 0.119 (5) | −0.003 (3) | −0.004 (4) | −0.004 (3) |
Sn1—C8 | 2.111 (5) | Sn2—S6 | 3.0397 (17) |
Sn1—C9 | 2.114 (5) | S5—C23 | 1.747 (6) |
Sn1—S2 | 2.5196 (15) | S6—C23 | 1.687 (6) |
Sn1—S4 | 2.5364 (14) | S7—C26 | 1.754 (5) |
Sn1—S3 | 2.9167 (15) | S8—C26 | 1.700 (5) |
Sn1—S1 | 2.9187 (16) | N3—C23 | 1.328 (6) |
S1—C1 | 1.702 (5) | N3—C17 | 1.467 (7) |
S2—C1 | 1.742 (5) | N3—C22 | 1.467 (7) |
S3—C10 | 1.710 (5) | N4—C26 | 1.311 (6) |
S4—C10 | 1.743 (5) | N4—C32 | 1.475 (6) |
N1—C1 | 1.296 (6) | N4—C27 | 1.484 (6) |
N1—C2 | 1.472 (6) | C15—C16 | 1.514 (7) |
N1—C7 | 1.476 (7) | C15—H15A | 0.970 |
N2—C10 | 1.314 (6) | C15—H15B | 0.970 |
N2—C11 | 1.465 (6) | C16—H16A | 0.970 |
N2—C16 | 1.481 (6) | C16—H16B | 0.970 |
C2—C3 | 1.507 (8) | C17—C18 | 1.516 (8) |
C2—H2A | 0.970 | C17—H17A | 0.970 |
C2—H2B | 0.970 | C17—H17B | 0.970 |
C3—C4 | 1.524 (8) | C18—C19 | 1.505 (9) |
C3—H3A | 0.970 | C18—H18A | 0.970 |
C3—H3B | 0.970 | C18—H18B | 0.970 |
C4—C5 | 1.476 (9) | C19—C20 | 1.516 (9) |
C4—C6 | 1.506 (9) | C19—C21 | 1.519 (9) |
C4—H4 | 0.980 | C19—H19 | 0.980 |
C5—H5A | 0.960 | C20—H20A | 0.960 |
C5—H5B | 0.960 | C20—H20B | 0.960 |
C5—H5C | 0.960 | C20—H20C | 0.960 |
C6—C7 | 1.487 (8) | C21—C22 | 1.504 (8) |
C6—H6A | 0.970 | C21—H21A | 0.970 |
C6—H6B | 0.970 | C21—H21B | 0.970 |
C7—H7A | 0.970 | C22—H22A | 0.970 |
C7—H7B | 0.970 | C22—H22B | 0.970 |
C8—H8A | 0.960 | C24—H24A | 0.960 |
C8—H8B | 0.960 | C24—H24B | 0.960 |
C8—H8C | 0.960 | C24—H24C | 0.960 |
C9—H9A | 0.960 | C25—H25A | 0.960 |
C9—H9B | 0.960 | C25—H25B | 0.960 |
C9—H9C | 0.960 | C25—H25C | 0.960 |
C11—C12 | 1.504 (7) | C27—C28 | 1.465 (7) |
C11—H11A | 0.970 | C27—H27A | 0.970 |
C11—H11B | 0.970 | C27—H27B | 0.970 |
C12—C13 | 1.533 (7) | C28—C29 | 1.508 (7) |
C12—H12A | 0.970 | C28—H28A | 0.970 |
C12—H12B | 0.970 | C28—H28B | 0.970 |
C13—C15 | 1.508 (7) | C29—C30 | 1.507 (7) |
C13—C14 | 1.523 (7) | C29—C31 | 1.510 (7) |
C13—H13 | 0.980 | C29—H29 | 0.980 |
C14—H14A | 0.960 | C30—H30A | 0.960 |
C14—H14B | 0.960 | C30—H30B | 0.960 |
C14—H14C | 0.960 | C30—H30C | 0.960 |
Sn2—C25 | 2.106 (5) | C31—C32 | 1.476 (7) |
Sn2—C24 | 2.114 (5) | C31—H31A | 0.970 |
Sn2—S7 | 2.5043 (14) | C31—H31B | 0.970 |
Sn2—S5 | 2.5330 (15) | C32—H32A | 0.970 |
Sn2—S8 | 2.8923 (15) | C32—H32B | 0.970 |
C8—Sn1—C9 | 138.5 (2) | S7—Sn2—S6 | 146.02 (4) |
C8—Sn1—S2 | 100.70 (16) | S5—Sn2—S6 | 63.33 (4) |
C9—Sn1—S2 | 107.86 (17) | S8—Sn2—S6 | 147.81 (4) |
C8—Sn1—S4 | 104.66 (15) | C23—S5—Sn2 | 96.68 (19) |
C9—Sn1—S4 | 107.62 (16) | C23—S6—Sn2 | 81.1 (2) |
S2—Sn1—S4 | 84.05 (5) | C26—S7—Sn2 | 93.75 (17) |
C8—Sn1—S3 | 85.19 (15) | C26—S8—Sn2 | 82.21 (17) |
C9—Sn1—S3 | 85.29 (17) | C23—N3—C17 | 121.7 (5) |
S2—Sn1—S3 | 149.19 (4) | C23—N3—C22 | 124.7 (5) |
S4—Sn1—S3 | 65.27 (4) | C17—N3—C22 | 113.2 (5) |
C8—Sn1—S1 | 82.13 (15) | C26—N4—C32 | 121.2 (4) |
C9—Sn1—S1 | 83.24 (16) | C26—N4—C27 | 123.9 (4) |
S2—Sn1—S1 | 65.25 (4) | C32—N4—C27 | 114.3 (4) |
S4—Sn1—S1 | 149.30 (4) | C13—C15—C16 | 113.0 (5) |
S3—Sn1—S1 | 145.36 (4) | C13—C15—H15A | 109.0 |
C1—S1—Sn1 | 81.71 (18) | C16—C15—H15A | 109.0 |
C1—S2—Sn1 | 93.91 (18) | C13—C15—H15B | 109.0 |
C10—S3—Sn1 | 82.20 (19) | C16—C15—H15B | 109.0 |
C10—S4—Sn1 | 93.94 (17) | H15A—C15—H15B | 107.8 |
C1—N1—C2 | 124.2 (5) | N2—C16—C15 | 110.9 (4) |
C1—N1—C7 | 123.0 (5) | N2—C16—H16A | 109.5 |
C2—N1—C7 | 112.5 (5) | C15—C16—H16A | 109.5 |
C10—N2—C11 | 122.9 (4) | N2—C16—H16B | 109.5 |
C10—N2—C16 | 123.3 (4) | C15—C16—H16B | 109.5 |
C11—N2—C16 | 113.0 (4) | H16A—C16—H16B | 108.1 |
N1—C1—S1 | 122.8 (4) | N3—C17—C18 | 109.0 (5) |
N1—C1—S2 | 119.3 (4) | N3—C17—H17A | 109.9 |
S1—C1—S2 | 117.9 (3) | C18—C17—H17A | 109.9 |
N1—C2—C3 | 109.9 (5) | N3—C17—H17B | 109.9 |
N1—C2—H2A | 109.7 | C18—C17—H17B | 109.9 |
C3—C2—H2A | 109.7 | H17A—C17—H17B | 108.3 |
N1—C2—H2B | 109.7 | C19—C18—C17 | 114.3 (7) |
C3—C2—H2B | 109.7 | C19—C18—H18A | 108.7 |
H2A—C2—H2B | 108.2 | C17—C18—H18A | 108.7 |
C2—C3—C4 | 113.9 (6) | C19—C18—H18B | 108.7 |
C2—C3—H3A | 108.8 | C17—C18—H18B | 108.7 |
C4—C3—H3A | 108.8 | H18A—C18—H18B | 107.6 |
C2—C3—H3B | 108.8 | C18—C19—C20 | 112.9 (8) |
C4—C3—H3B | 108.8 | C18—C19—C21 | 108.7 (6) |
H3A—C3—H3B | 107.7 | C20—C19—C21 | 113.2 (7) |
C5—C4—C6 | 115.7 (7) | C18—C19—H19 | 107.2 |
C5—C4—C3 | 111.7 (6) | C20—C19—H19 | 107.2 |
C6—C4—C3 | 107.8 (6) | C21—C19—H19 | 107.2 |
C5—C4—H4 | 107.1 | C19—C20—H20A | 109.5 |
C6—C4—H4 | 107.1 | C19—C20—H20B | 109.5 |
C3—C4—H4 | 107.1 | H20A—C20—H20B | 109.5 |
C4—C5—H5A | 109.5 | C19—C20—H20C | 109.5 |
C4—C5—H5B | 109.5 | H20A—C20—H20C | 109.5 |
H5A—C5—H5B | 109.5 | H20B—C20—H20C | 109.5 |
C4—C5—H5C | 109.5 | C22—C21—C19 | 113.0 (6) |
H5A—C5—H5C | 109.5 | C22—C21—H21A | 109.0 |
H5B—C5—H5C | 109.5 | C19—C21—H21A | 109.0 |
C7—C6—C4 | 112.5 (6) | C22—C21—H21B | 109.0 |
C7—C6—H6A | 109.1 | C19—C21—H21B | 109.0 |
C4—C6—H6A | 109.1 | H21A—C21—H21B | 107.8 |
C7—C6—H6B | 109.1 | N3—C22—C21 | 110.3 (5) |
C4—C6—H6B | 109.1 | N3—C22—H22A | 109.6 |
H6A—C6—H6B | 107.8 | C21—C22—H22A | 109.6 |
N1—C7—C6 | 110.4 (5) | N3—C22—H22B | 109.6 |
N1—C7—H7A | 109.6 | C21—C22—H22B | 109.6 |
C6—C7—H7A | 109.6 | H22A—C22—H22B | 108.1 |
N1—C7—H7B | 109.6 | N3—C23—S6 | 123.0 (4) |
C6—C7—H7B | 109.6 | N3—C23—S5 | 118.1 (4) |
H7A—C7—H7B | 108.1 | S6—C23—S5 | 118.9 (3) |
Sn1—C8—H8A | 109.5 | Sn2—C24—H24A | 109.5 |
Sn1—C8—H8B | 109.5 | Sn2—C24—H24B | 109.5 |
H8A—C8—H8B | 109.5 | H24A—C24—H24B | 109.5 |
Sn1—C8—H8C | 109.5 | Sn2—C24—H24C | 109.5 |
H8A—C8—H8C | 109.5 | H24A—C24—H24C | 109.5 |
H8B—C8—H8C | 109.5 | H24B—C24—H24C | 109.5 |
Sn1—C9—H9A | 109.5 | Sn2—C25—H25A | 109.5 |
Sn1—C9—H9B | 109.5 | Sn2—C25—H25B | 109.5 |
H9A—C9—H9B | 109.5 | H25A—C25—H25B | 109.5 |
Sn1—C9—H9C | 109.5 | Sn2—C25—H25C | 109.5 |
H9A—C9—H9C | 109.5 | H25A—C25—H25C | 109.5 |
H9B—C9—H9C | 109.5 | H25B—C25—H25C | 109.5 |
N2—C10—S3 | 122.3 (4) | N4—C26—S8 | 123.2 (4) |
N2—C10—S4 | 119.8 (4) | N4—C26—S7 | 119.1 (3) |
S3—C10—S4 | 117.9 (3) | S8—C26—S7 | 117.8 (3) |
N2—C11—C12 | 112.1 (4) | C28—C27—N4 | 111.5 (5) |
N2—C11—H11A | 109.2 | C28—C27—H27A | 109.3 |
C12—C11—H11A | 109.2 | N4—C27—H27A | 109.3 |
N2—C11—H11B | 109.2 | C28—C27—H27B | 109.3 |
C12—C11—H11B | 109.2 | N4—C27—H27B | 109.3 |
H11A—C11—H11B | 107.9 | H27A—C27—H27B | 108.0 |
C11—C12—C13 | 111.0 (5) | C27—C28—C29 | 113.7 (5) |
C11—C12—H12A | 109.4 | C27—C28—H28A | 108.8 |
C13—C12—H12A | 109.4 | C29—C28—H28A | 108.8 |
C11—C12—H12B | 109.4 | C27—C28—H28B | 108.8 |
C13—C12—H12B | 109.4 | C29—C28—H28B | 108.8 |
H12A—C12—H12B | 108.0 | H28A—C28—H28B | 107.7 |
C15—C13—C14 | 112.6 (5) | C30—C29—C28 | 113.9 (5) |
C15—C13—C12 | 108.7 (4) | C30—C29—C31 | 111.8 (5) |
C14—C13—C12 | 111.7 (5) | C28—C29—C31 | 108.2 (4) |
C15—C13—H13 | 107.9 | C30—C29—H29 | 107.6 |
C14—C13—H13 | 107.9 | C28—C29—H29 | 107.6 |
C12—C13—H13 | 107.9 | C31—C29—H29 | 107.6 |
C13—C14—H14A | 109.5 | C29—C30—H30A | 109.5 |
C13—C14—H14B | 109.5 | C29—C30—H30B | 109.5 |
H14A—C14—H14B | 109.5 | H30A—C30—H30B | 109.5 |
C13—C14—H14C | 109.5 | C29—C30—H30C | 109.5 |
H14A—C14—H14C | 109.5 | H30A—C30—H30C | 109.5 |
H14B—C14—H14C | 109.5 | H30B—C30—H30C | 109.5 |
C25—Sn2—C24 | 134.0 (2) | C32—C31—C29 | 113.8 (5) |
C25—Sn2—S7 | 110.36 (18) | C32—C31—H31A | 108.8 |
C24—Sn2—S7 | 106.16 (15) | C29—C31—H31A | 108.8 |
C25—Sn2—S5 | 102.41 (17) | C32—C31—H31B | 108.8 |
C24—Sn2—S5 | 108.91 (15) | C29—C31—H31B | 108.8 |
S7—Sn2—S5 | 83.21 (4) | H31A—C31—H31B | 107.7 |
C25—Sn2—S8 | 84.56 (16) | N4—C32—C31 | 110.9 (4) |
C24—Sn2—S8 | 85.57 (15) | N4—C32—H32A | 109.5 |
S7—Sn2—S8 | 66.00 (4) | C31—C32—H32A | 109.4 |
S5—Sn2—S8 | 148.79 (4) | N4—C32—H32B | 109.4 |
C25—Sn2—S6 | 83.99 (17) | C31—C32—H32B | 109.5 |
C24—Sn2—S6 | 81.03 (15) | H32A—C32—H32B | 108.0 |