metal-organic compounds
The structure of the title compound, {(C6H15N)[Sn(C6H5)3(C6H2O4S)]}n, when refined in Pc, comprises two independent formula units. The polyanionic chain has both Sn atoms in trans-C3SnO2 trigonal–bipyramidal geometries.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805035622/tk6281sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805035622/tk6281Isup2.hkl |
CCDC reference: 294014
Computing details top
Data collection: SMART (Bruker, 1996); cell refinement: SAINT (Bruker, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
catena-poly[triethylammonium
[triphenylstannate(IV)-µ-2,5-thiophenedicarboxylato]] top
Crystal data top
(C6H15N)[Sn(C6H5)3(C6H2O4S)] | F(000) = 1272 |
Mr = 622.32 | Dx = 1.414 Mg m−3 |
Monoclinic, Pc | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P -2yc | Cell parameters from 846 reflections |
a = 18.354 (4) Å | θ = 2.4–23.6° |
b = 9.658 (2) Å | µ = 0.98 mm−1 |
c = 18.982 (3) Å | T = 293 K |
β = 119.69 (2)° | Block, colorless |
V = 2923 (1) Å3 | 0.25 × 0.14 × 0.07 mm |
Z = 4 |
Data collection top
Bruker SMART area-detector diffractometer | 7034 independent reflections |
Radiation source: fine-focus sealed tube | 5750 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.043 |
φ and ω scans | θmax = 25.0°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −21→17 |
Tmin = 0.792, Tmax = 0.935 | k = −11→11 |
14964 measured reflections | l = −21→22 |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.041 | H-atom parameters constrained |
wR(F2) = 0.111 | w = 1/[σ2(Fo2) + (0.0616P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max = 0.001 |
7034 reflections | Δρmax = 0.84 e Å−3 |
595 parameters | Δρmin = −0.37 e Å−3 |
386 restraints | Absolute structure: Flack (1983), from 1284 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.01 (3) |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Sn1 | 0.50000 (3) | 0.54737 (5) | 0.50000 (2) | 0.03666 (16) | |
Sn2 | −0.03219 (3) | 0.03827 (5) | 0.00773 (3) | 0.04380 (18) | |
S1 | 0.69143 (13) | 0.8292 (2) | 0.76148 (14) | 0.0462 (5) | |
S2 | 0.22403 (13) | 0.2842 (2) | 0.22456 (13) | 0.0480 (5) | |
O1 | 0.5712 (4) | 0.6532 (5) | 0.6230 (3) | 0.0448 (13) | |
O2 | 0.4553 (4) | 0.7658 (6) | 0.6025 (4) | 0.0568 (16) | |
O3 | 0.8431 (4) | 0.9426 (5) | 0.9224 (4) | 0.0589 (17) | |
O4 | 0.7786 (4) | 1.1445 (6) | 0.9049 (4) | 0.0569 (15) | |
O5 | 0.4413 (4) | 0.4385 (5) | 0.3827 (3) | 0.0488 (14) | |
O6 | 0.3139 (4) | 0.4765 (8) | 0.3661 (4) | 0.071 (2) | |
O7 | 0.0942 (4) | 0.1239 (6) | 0.0924 (4) | 0.0564 (15) | |
O8 | 0.1636 (4) | 0.0751 (7) | 0.0269 (4) | 0.0649 (18) | |
N1 | 0.6925 (4) | 1.3621 (7) | 0.8031 (4) | 0.063 (2) | |
H1N | 0.7149 | 1.2892 | 0.8377 | 0.076* | |
N2 | 0.2095 (5) | 0.1153 (8) | −0.0870 (5) | 0.090 (3) | |
H2N | 0.1955 | 0.1036 | −0.0476 | 0.108* | |
C1 | 0.6183 (3) | 0.4659 (5) | 0.5204 (3) | 0.0397 (18) | |
C2 | 0.6203 (3) | 0.3442 (5) | 0.4823 (3) | 0.047 (2) | |
H2 | 0.5706 | 0.2987 | 0.4475 | 0.057* | |
C3 | 0.6966 (4) | 0.2904 (5) | 0.4963 (4) | 0.066 (3) | |
H3 | 0.6979 | 0.2089 | 0.4708 | 0.080* | |
C4 | 0.7709 (3) | 0.3584 (7) | 0.5483 (4) | 0.079 (3) | |
H4 | 0.8219 | 0.3224 | 0.5577 | 0.095* | |
C5 | 0.7689 (3) | 0.4802 (7) | 0.5864 (4) | 0.073 (3) | |
H5 | 0.8186 | 0.5257 | 0.6212 | 0.087* | |
C6 | 0.6926 (3) | 0.5339 (5) | 0.5724 (4) | 0.056 (2) | |
H6 | 0.6913 | 0.6154 | 0.5979 | 0.067* | |
C7 | 0.4772 (4) | 0.7471 (5) | 0.4428 (4) | 0.050 (2) | |
C8 | 0.5355 (4) | 0.8506 (6) | 0.4843 (3) | 0.067 (3) | |
H8 | 0.5804 | 0.8334 | 0.5358 | 0.080* | |
C9 | 0.5268 (5) | 0.9799 (5) | 0.4488 (5) | 0.086 (3) | |
H9 | 0.5658 | 1.0492 | 0.4766 | 0.103* | |
C10 | 0.4597 (5) | 1.0057 (6) | 0.3718 (5) | 0.084 (3) | |
H10 | 0.4538 | 1.0922 | 0.3480 | 0.100* | |
C11 | 0.4013 (4) | 0.9021 (8) | 0.3303 (4) | 0.097 (4) | |
H11 | 0.3564 | 0.9193 | 0.2788 | 0.116* | |
C12 | 0.4101 (4) | 0.7728 (7) | 0.3658 (4) | 0.068 (3) | |
H12 | 0.3710 | 0.7035 | 0.3380 | 0.081* | |
C13 | 0.4457 (4) | 0.4064 (4) | 0.5493 (3) | 0.0414 (19) | |
C14 | 0.4046 (4) | 0.4474 (4) | 0.5908 (4) | 0.058 (2) | |
H14 | 0.3948 | 0.5408 | 0.5945 | 0.070* | |
C15 | 0.3784 (4) | 0.3487 (6) | 0.6267 (4) | 0.074 (3) | |
H15 | 0.3509 | 0.3761 | 0.6544 | 0.089* | |
C16 | 0.3931 (4) | 0.2090 (6) | 0.6211 (4) | 0.072 (3) | |
H16 | 0.3755 | 0.1430 | 0.6451 | 0.086* | |
C17 | 0.4341 (4) | 0.1681 (4) | 0.5796 (4) | 0.073 (3) | |
H17 | 0.4440 | 0.0746 | 0.5759 | 0.087* | |
C18 | 0.4604 (4) | 0.2668 (5) | 0.5437 (4) | 0.056 (2) | |
H18 | 0.4879 | 0.2394 | 0.5159 | 0.067* | |
C19 | −0.0409 (4) | 0.1644 (5) | −0.0897 (3) | 0.048 (2) | |
C20 | −0.0762 (4) | 0.1136 (5) | −0.1684 (3) | 0.062 (2) | |
H20 | −0.0961 | 0.0231 | −0.1797 | 0.075* | |
C21 | −0.0818 (4) | 0.1979 (7) | −0.2302 (3) | 0.074 (3) | |
H21 | −0.1054 | 0.1639 | −0.2828 | 0.089* | |
C22 | −0.0520 (5) | 0.3331 (7) | −0.2134 (4) | 0.082 (3) | |
H22 | −0.0557 | 0.3895 | −0.2547 | 0.099* | |
C23 | −0.0167 (5) | 0.3839 (5) | −0.1347 (4) | 0.078 (3) | |
H23 | 0.0032 | 0.4744 | −0.1234 | 0.094* | |
C24 | −0.0111 (4) | 0.2996 (6) | −0.0729 (3) | 0.067 (3) | |
H24 | 0.0125 | 0.3336 | −0.0203 | 0.080* | |
C25 | 0.0143 (5) | −0.1681 (6) | 0.0321 (4) | 0.055 (2) | |
C26 | 0.0814 (6) | −0.2109 (9) | 0.0229 (6) | 0.134 (5) | |
H26 | 0.1037 | −0.1517 | −0.0002 | 0.161* | |
C27 | 0.1153 (6) | −0.3423 (11) | 0.0482 (8) | 0.169 (7) | |
H27 | 0.1602 | −0.3710 | 0.0421 | 0.203* | |
C28 | 0.0820 (7) | −0.4309 (7) | 0.0828 (7) | 0.116 (5) | |
H28 | 0.1046 | −0.5189 | 0.0997 | 0.139* | |
C29 | 0.0149 (8) | −0.3881 (8) | 0.0920 (6) | 0.133 (5) | |
H29 | −0.0074 | −0.4474 | 0.1151 | 0.159* | |
C30 | −0.0189 (5) | −0.2567 (8) | 0.0667 (6) | 0.101 (4) | |
H30 | −0.0638 | −0.2280 | 0.0728 | 0.121* | |
C31 | −0.0692 (4) | 0.1118 (6) | 0.0941 (4) | 0.053 (2) | |
C32 | −0.0178 (4) | 0.2035 (7) | 0.1550 (4) | 0.073 (3) | |
H32 | 0.0323 | 0.2333 | 0.1590 | 0.087* | |
C33 | −0.0413 (5) | 0.2508 (7) | 0.2101 (4) | 0.089 (3) | |
H33 | −0.0070 | 0.3121 | 0.2509 | 0.107* | |
C34 | −0.1162 (5) | 0.2063 (8) | 0.2041 (4) | 0.089 (4) | |
H34 | −0.1319 | 0.2379 | 0.2409 | 0.107* | |
C35 | −0.1676 (4) | 0.1146 (8) | 0.1432 (5) | 0.083 (3) | |
H35 | −0.2177 | 0.0848 | 0.1392 | 0.099* | |
C36 | −0.1441 (4) | 0.0673 (6) | 0.0881 (4) | 0.068 (3) | |
H36 | −0.1784 | 0.0059 | 0.0473 | 0.082* | |
C37 | 0.5315 (5) | 0.7442 (8) | 0.6401 (5) | 0.0393 (18) | |
C38 | 0.5834 (5) | 0.8292 (7) | 0.7127 (4) | 0.0357 (17) | |
C39 | 0.5559 (5) | 0.9209 (8) | 0.7492 (5) | 0.0446 (19) | |
H39 | 0.4995 | 0.9346 | 0.7324 | 0.054* | |
C40 | 0.6208 (6) | 0.9928 (8) | 0.8146 (5) | 0.046 (2) | |
H40 | 0.6116 | 1.0588 | 0.8449 | 0.055* | |
C41 | 0.6993 (5) | 0.9556 (7) | 0.8290 (5) | 0.0395 (18) | |
C42 | 0.7787 (6) | 1.0203 (8) | 0.8887 (5) | 0.043 (2) | |
C43 | 0.3597 (5) | 0.4244 (8) | 0.3439 (5) | 0.046 (2) | |
C44 | 0.3261 (5) | 0.3359 (8) | 0.2698 (5) | 0.0419 (19) | |
C45 | 0.3626 (5) | 0.2929 (8) | 0.2258 (5) | 0.0434 (19) | |
H45 | 0.4176 | 0.3143 | 0.2400 | 0.052* | |
C46 | 0.3097 (5) | 0.2136 (9) | 0.1575 (5) | 0.048 (2) | |
H46 | 0.3262 | 0.1745 | 0.1228 | 0.057* | |
C47 | 0.2313 (5) | 0.2003 (8) | 0.1476 (4) | 0.0365 (17) | |
C48 | 0.1576 (6) | 0.1273 (8) | 0.0828 (5) | 0.048 (2) | |
C49 | 0.7612 (6) | 1.4533 (11) | 0.8081 (6) | 0.096 (4) | |
H49A | 0.7368 | 1.5308 | 0.7713 | 0.115* | |
H49B | 0.7955 | 1.4011 | 0.7916 | 0.115* | |
C50 | 0.8164 (7) | 1.5073 (13) | 0.8946 (7) | 0.106 (4) | |
H50A | 0.8592 | 1.5667 | 0.8962 | 0.159* | |
H50B | 0.8421 | 1.4307 | 0.9308 | 0.159* | |
H50C | 0.7825 | 1.5585 | 0.9110 | 0.159* | |
C51 | 0.6412 (6) | 1.3109 (10) | 0.7174 (5) | 0.082 (3) | |
H51A | 0.6204 | 1.3897 | 0.6810 | 0.099* | |
H51B | 0.5932 | 1.2601 | 0.7121 | 0.099* | |
C52 | 0.6913 (8) | 1.2177 (10) | 0.6923 (6) | 0.080 (3) | |
H52A | 0.6563 | 1.1885 | 0.6371 | 0.120* | |
H52B | 0.7106 | 1.1381 | 0.7270 | 0.120* | |
H52C | 0.7386 | 1.2679 | 0.6968 | 0.120* | |
C53 | 0.6392 (9) | 1.4477 (14) | 0.8261 (11) | 0.165 (8) | |
H53A | 0.6748 | 1.4919 | 0.8780 | 0.198* | |
H53B | 0.6116 | 1.5200 | 0.7860 | 0.198* | |
C54 | 0.5743 (11) | 1.362 (2) | 0.8319 (13) | 0.176 (8) | |
H54A | 0.5428 | 1.4198 | 0.8484 | 0.264* | |
H54B | 0.6013 | 1.2898 | 0.8710 | 0.264* | |
H54C | 0.5371 | 1.3222 | 0.7799 | 0.264* | |
C55 | 0.1301 (6) | 0.1138 (15) | −0.1647 (7) | 0.135 (6) | |
H55A | 0.0957 | 0.1909 | −0.1657 | 0.163* | |
H55B | 0.1001 | 0.0291 | −0.1683 | 0.163* | |
C56 | 0.1422 (12) | 0.124 (2) | −0.2383 (7) | 0.168 (8) | |
H56A | 0.0886 | 0.1209 | −0.2869 | 0.252* | |
H56B | 0.1758 | 0.0473 | −0.2381 | 0.252* | |
H56C | 0.1699 | 0.2091 | −0.2364 | 0.252* | |
C57 | 0.2653 (7) | −0.0021 (10) | −0.0788 (9) | 0.120 (5) | |
H57A | 0.3160 | 0.0036 | −0.0264 | 0.143* | |
H57B | 0.2813 | 0.0057 | −0.1203 | 0.143* | |
C58 | 0.2244 (9) | −0.1422 (10) | −0.0864 (9) | 0.116 (5) | |
H58A | 0.2636 | −0.2143 | −0.0789 | 0.174* | |
H58B | 0.1758 | −0.1505 | −0.1393 | 0.174* | |
H58C | 0.2079 | −0.1502 | −0.0458 | 0.174* | |
C59 | 0.2552 (6) | 0.2494 (9) | −0.0694 (7) | 0.094 (4) | |
H59A | 0.2694 | 0.2675 | −0.1114 | 0.113* | |
H59B | 0.3072 | 0.2415 | −0.0183 | 0.113* | |
C60 | 0.2057 (9) | 0.3706 (10) | −0.0646 (9) | 0.120 (5) | |
H60A | 0.2385 | 0.4536 | −0.0530 | 0.180* | |
H60B | 0.1925 | 0.3545 | −0.0223 | 0.180* | |
H60C | 0.1548 | 0.3806 | −0.1155 | 0.180* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.0328 (3) | 0.0367 (3) | 0.0338 (3) | −0.0041 (3) | 0.0115 (3) | −0.0040 (3) |
Sn2 | 0.0375 (4) | 0.0451 (3) | 0.0384 (4) | −0.0072 (3) | 0.0109 (3) | −0.0039 (3) |
S1 | 0.0329 (11) | 0.0449 (11) | 0.0520 (13) | −0.0019 (9) | 0.0143 (10) | −0.0080 (10) |
S2 | 0.0312 (11) | 0.0695 (13) | 0.0381 (11) | −0.0073 (11) | 0.0132 (10) | −0.0116 (11) |
O1 | 0.047 (4) | 0.043 (3) | 0.038 (3) | −0.001 (3) | 0.016 (3) | −0.009 (2) |
O2 | 0.036 (4) | 0.069 (4) | 0.056 (4) | −0.015 (3) | 0.015 (3) | −0.020 (3) |
O3 | 0.045 (4) | 0.045 (3) | 0.070 (5) | −0.009 (3) | 0.015 (3) | −0.004 (3) |
O4 | 0.053 (4) | 0.046 (3) | 0.047 (4) | −0.010 (3) | 0.007 (3) | −0.007 (3) |
O5 | 0.036 (3) | 0.062 (3) | 0.033 (3) | −0.011 (3) | 0.005 (3) | −0.008 (3) |
O6 | 0.041 (4) | 0.113 (5) | 0.049 (4) | 0.007 (4) | 0.014 (3) | −0.024 (4) |
O7 | 0.040 (3) | 0.073 (4) | 0.056 (4) | −0.018 (3) | 0.023 (3) | −0.016 (3) |
O8 | 0.067 (4) | 0.083 (4) | 0.047 (4) | −0.028 (4) | 0.030 (4) | −0.032 (3) |
N1 | 0.057 (5) | 0.075 (5) | 0.048 (5) | 0.016 (5) | 0.019 (4) | −0.001 (4) |
N2 | 0.058 (6) | 0.151 (9) | 0.069 (6) | 0.031 (7) | 0.038 (5) | 0.016 (7) |
C1 | 0.038 (4) | 0.039 (4) | 0.043 (4) | 0.002 (3) | 0.021 (4) | 0.008 (3) |
C2 | 0.041 (4) | 0.044 (4) | 0.053 (5) | 0.004 (4) | 0.021 (4) | 0.001 (4) |
C3 | 0.072 (6) | 0.062 (5) | 0.077 (6) | 0.014 (5) | 0.046 (5) | 0.006 (5) |
C4 | 0.061 (6) | 0.097 (6) | 0.085 (7) | 0.022 (5) | 0.040 (5) | 0.010 (5) |
C5 | 0.058 (6) | 0.076 (6) | 0.083 (7) | −0.001 (5) | 0.034 (5) | −0.011 (5) |
C6 | 0.041 (5) | 0.057 (5) | 0.067 (6) | −0.005 (4) | 0.025 (5) | −0.006 (4) |
C7 | 0.062 (5) | 0.046 (4) | 0.049 (5) | 0.010 (4) | 0.034 (4) | 0.007 (4) |
C8 | 0.087 (6) | 0.045 (4) | 0.078 (6) | −0.007 (5) | 0.049 (5) | 0.001 (4) |
C9 | 0.107 (8) | 0.077 (6) | 0.092 (7) | −0.008 (6) | 0.063 (6) | 0.003 (5) |
C10 | 0.103 (8) | 0.072 (5) | 0.095 (7) | 0.018 (6) | 0.064 (6) | 0.011 (5) |
C11 | 0.100 (8) | 0.117 (8) | 0.094 (7) | 0.020 (6) | 0.063 (6) | 0.017 (6) |
C12 | 0.067 (6) | 0.080 (6) | 0.060 (5) | 0.010 (5) | 0.034 (5) | 0.024 (5) |
C13 | 0.032 (4) | 0.046 (4) | 0.035 (4) | −0.007 (3) | 0.008 (3) | 0.002 (3) |
C14 | 0.059 (5) | 0.057 (5) | 0.068 (6) | −0.005 (4) | 0.038 (5) | −0.002 (4) |
C15 | 0.076 (6) | 0.093 (6) | 0.061 (6) | −0.012 (5) | 0.040 (5) | 0.000 (5) |
C16 | 0.079 (6) | 0.072 (5) | 0.065 (6) | −0.014 (5) | 0.036 (5) | 0.016 (5) |
C17 | 0.071 (6) | 0.062 (5) | 0.077 (6) | −0.022 (5) | 0.030 (5) | 0.008 (5) |
C18 | 0.065 (6) | 0.039 (4) | 0.055 (5) | −0.008 (4) | 0.023 (4) | −0.002 (4) |
C19 | 0.047 (5) | 0.045 (4) | 0.045 (5) | −0.004 (4) | 0.018 (4) | 0.000 (4) |
C20 | 0.062 (6) | 0.067 (5) | 0.051 (5) | −0.006 (5) | 0.023 (4) | 0.001 (4) |
C21 | 0.070 (6) | 0.092 (6) | 0.056 (5) | 0.002 (5) | 0.027 (5) | 0.008 (5) |
C22 | 0.066 (6) | 0.100 (7) | 0.078 (7) | 0.000 (6) | 0.033 (5) | 0.032 (6) |
C23 | 0.074 (6) | 0.060 (5) | 0.092 (7) | 0.004 (5) | 0.035 (5) | 0.014 (5) |
C24 | 0.066 (6) | 0.061 (5) | 0.074 (6) | −0.013 (5) | 0.036 (5) | −0.002 (5) |
C25 | 0.051 (5) | 0.051 (4) | 0.042 (5) | −0.013 (4) | 0.008 (4) | −0.010 (4) |
C26 | 0.124 (9) | 0.102 (8) | 0.187 (10) | 0.005 (7) | 0.085 (8) | 0.003 (7) |
C27 | 0.146 (11) | 0.141 (10) | 0.213 (12) | 0.028 (8) | 0.083 (9) | −0.009 (8) |
C28 | 0.114 (9) | 0.074 (6) | 0.125 (9) | 0.021 (6) | 0.033 (7) | 0.008 (6) |
C29 | 0.145 (10) | 0.108 (8) | 0.136 (9) | −0.006 (8) | 0.062 (8) | 0.019 (7) |
C30 | 0.102 (8) | 0.080 (6) | 0.120 (8) | 0.000 (6) | 0.055 (7) | 0.024 (6) |
C31 | 0.056 (5) | 0.053 (4) | 0.051 (5) | −0.003 (4) | 0.027 (4) | 0.000 (4) |
C32 | 0.080 (6) | 0.079 (5) | 0.071 (6) | −0.004 (5) | 0.046 (5) | −0.025 (5) |
C33 | 0.100 (7) | 0.086 (6) | 0.075 (6) | 0.002 (6) | 0.039 (6) | −0.017 (5) |
C34 | 0.099 (8) | 0.101 (7) | 0.084 (7) | 0.025 (6) | 0.057 (6) | 0.017 (6) |
C35 | 0.074 (6) | 0.091 (6) | 0.099 (7) | 0.008 (6) | 0.055 (6) | 0.018 (6) |
C36 | 0.063 (6) | 0.087 (6) | 0.059 (6) | −0.004 (5) | 0.034 (5) | 0.002 (5) |
C37 | 0.036 (4) | 0.043 (4) | 0.033 (4) | −0.009 (4) | 0.013 (4) | −0.007 (3) |
C38 | 0.032 (4) | 0.041 (4) | 0.029 (4) | −0.008 (3) | 0.011 (3) | −0.004 (3) |
C39 | 0.033 (4) | 0.055 (4) | 0.049 (5) | −0.005 (4) | 0.022 (4) | −0.010 (4) |
C40 | 0.049 (5) | 0.049 (4) | 0.039 (4) | −0.007 (4) | 0.022 (4) | −0.007 (4) |
C41 | 0.038 (4) | 0.034 (4) | 0.036 (4) | −0.008 (3) | 0.011 (3) | −0.001 (3) |
C42 | 0.045 (5) | 0.043 (4) | 0.026 (4) | −0.008 (4) | 0.007 (4) | −0.005 (3) |
C43 | 0.036 (4) | 0.052 (4) | 0.041 (5) | 0.002 (4) | 0.013 (4) | −0.002 (4) |
C44 | 0.033 (4) | 0.045 (4) | 0.035 (4) | −0.006 (3) | 0.008 (3) | 0.003 (3) |
C45 | 0.038 (4) | 0.055 (4) | 0.035 (4) | −0.007 (4) | 0.016 (4) | 0.007 (4) |
C46 | 0.043 (5) | 0.062 (5) | 0.034 (4) | −0.001 (4) | 0.016 (4) | −0.004 (4) |
C47 | 0.032 (4) | 0.050 (4) | 0.022 (4) | −0.006 (3) | 0.009 (3) | 0.001 (3) |
C48 | 0.047 (5) | 0.055 (5) | 0.043 (5) | −0.008 (4) | 0.024 (4) | −0.009 (4) |
C49 | 0.099 (8) | 0.089 (7) | 0.091 (7) | −0.003 (6) | 0.040 (6) | 0.001 (6) |
C50 | 0.097 (8) | 0.115 (7) | 0.092 (8) | 0.001 (7) | 0.037 (6) | −0.025 (6) |
C51 | 0.083 (7) | 0.092 (7) | 0.051 (6) | 0.015 (6) | 0.018 (5) | 0.005 (5) |
C52 | 0.098 (7) | 0.085 (6) | 0.068 (6) | 0.010 (6) | 0.050 (5) | 0.007 (5) |
C53 | 0.167 (12) | 0.181 (12) | 0.161 (11) | −0.003 (8) | 0.093 (9) | −0.029 (8) |
C54 | 0.188 (12) | 0.189 (12) | 0.173 (11) | −0.005 (9) | 0.107 (9) | −0.011 (8) |
C55 | 0.108 (9) | 0.140 (9) | 0.144 (10) | 0.013 (7) | 0.052 (8) | −0.025 (8) |
C56 | 0.177 (12) | 0.161 (10) | 0.138 (11) | 0.001 (9) | 0.056 (8) | 0.002 (8) |
C57 | 0.110 (9) | 0.153 (9) | 0.105 (8) | 0.019 (7) | 0.061 (7) | 0.012 (7) |
C58 | 0.118 (9) | 0.129 (8) | 0.114 (8) | 0.042 (7) | 0.067 (7) | −0.008 (7) |
C59 | 0.073 (7) | 0.125 (8) | 0.088 (7) | −0.017 (6) | 0.042 (6) | 0.009 (6) |
C60 | 0.117 (9) | 0.120 (8) | 0.131 (9) | −0.023 (7) | 0.067 (7) | −0.002 (7) |
Geometric parameters (Å, º) top
Sn1—C1 | 2.157 (4) | C24—H24 | 0.9300 |
Sn1—C7 | 2.150 (4) | C25—C26 | 1.3900 |
Sn1—C13 | 2.155 (4) | C25—C30 | 1.3900 |
Sn1—O1 | 2.276 (5) | C26—C27 | 1.3900 |
Sn1—O5 | 2.203 (5) | C26—H26 | 0.9300 |
Sn2—C19 | 2.154 (4) | C27—C28 | 1.3900 |
Sn2—C25 | 2.127 (6) | C27—H27 | 0.9300 |
Sn2—C31 | 2.180 (5) | C28—C29 | 1.3900 |
Sn2—O7 | 2.226 (6) | C28—H28 | 0.9300 |
Sn2—O3i | 2.246 (6) | C29—C30 | 1.3900 |
S1—C41 | 1.723 (8) | C29—H29 | 0.9300 |
S1—C38 | 1.724 (8) | C30—H30 | 0.9300 |
S2—C44 | 1.703 (8) | C31—C32 | 1.3900 |
S2—C47 | 1.732 (7) | C31—C36 | 1.3900 |
O1—C37 | 1.282 (9) | C32—C33 | 1.3900 |
O2—C37 | 1.233 (10) | C32—H32 | 0.9300 |
O3—C42 | 1.273 (10) | C33—C34 | 1.3900 |
O3—Sn2ii | 2.246 (6) | C33—H33 | 0.9300 |
O4—C42 | 1.238 (9) | C34—C35 | 1.3900 |
O5—C43 | 1.307 (10) | C34—H34 | 0.9300 |
O6—C43 | 1.220 (10) | C35—C36 | 1.3900 |
O7—C48 | 1.266 (10) | C35—H35 | 0.9300 |
O8—C48 | 1.229 (9) | C36—H36 | 0.9300 |
N1—C53 | 1.502 (8) | C37—C38 | 1.477 (10) |
N1—C49 | 1.503 (8) | C38—C39 | 1.365 (10) |
N1—C51 | 1.504 (7) | C39—C40 | 1.406 (12) |
N1—H1N | 0.9100 | C39—H39 | 0.9300 |
N2—C55 | 1.473 (8) | C40—C41 | 1.374 (12) |
N2—C57 | 1.483 (8) | C40—H40 | 0.9300 |
N2—C59 | 1.487 (7) | C41—C42 | 1.470 (11) |
N2—H2N | 0.9100 | C43—C44 | 1.493 (11) |
C1—C2 | 1.3900 | C44—C45 | 1.370 (11) |
C1—C6 | 1.3900 | C45—C46 | 1.401 (11) |
C2—C3 | 1.3900 | C45—H45 | 0.9300 |
C2—H2 | 0.9300 | C46—C47 | 1.362 (11) |
C3—C4 | 1.3900 | C46—H46 | 0.9300 |
C3—H3 | 0.9300 | C47—C48 | 1.481 (11) |
C4—C5 | 1.3900 | C49—C50 | 1.532 (9) |
C4—H4 | 0.9300 | C49—H49A | 0.9700 |
C5—C6 | 1.3900 | C49—H49B | 0.9700 |
C5—H5 | 0.9300 | C50—H50A | 0.9600 |
C6—H6 | 0.9300 | C50—H50B | 0.9600 |
C7—C8 | 1.3900 | C50—H50C | 0.9600 |
C7—C12 | 1.3900 | C51—C52 | 1.522 (8) |
C8—C9 | 1.3900 | C51—H51A | 0.9700 |
C8—H8 | 0.9300 | C51—H51B | 0.9700 |
C9—C10 | 1.3900 | C52—H52A | 0.9600 |
C9—H9 | 0.9300 | C52—H52B | 0.9600 |
C10—C11 | 1.3900 | C52—H52C | 0.9600 |
C10—H10 | 0.9300 | C53—C54 | 1.497 (9) |
C11—C12 | 1.3900 | C53—H53A | 0.9700 |
C11—H11 | 0.9300 | C53—H53B | 0.9700 |
C12—H12 | 0.9300 | C54—H54A | 0.9600 |
C13—C14 | 1.3900 | C54—H54B | 0.9600 |
C13—C18 | 1.3900 | C54—H54C | 0.9600 |
C14—C15 | 1.3900 | C55—C56 | 1.522 (9) |
C14—H14 | 0.9300 | C55—H55A | 0.9700 |
C15—C16 | 1.3900 | C55—H55B | 0.9700 |
C15—H15 | 0.9300 | C56—H56A | 0.9600 |
C16—C17 | 1.3900 | C56—H56B | 0.9600 |
C16—H16 | 0.9300 | C56—H56C | 0.9600 |
C17—C18 | 1.3900 | C57—C58 | 1.519 (9) |
C17—H17 | 0.9300 | C57—H57A | 0.9700 |
C18—H18 | 0.9300 | C57—H57B | 0.9700 |
C19—C20 | 1.3900 | C58—H58A | 0.9600 |
C19—C24 | 1.3900 | C58—H58B | 0.9600 |
C20—C21 | 1.3900 | C58—H58C | 0.9600 |
C20—H20 | 0.9300 | C59—C60 | 1.512 (8) |
C21—C22 | 1.3900 | C59—H59A | 0.9700 |
C21—H21 | 0.9300 | C59—H59B | 0.9700 |
C22—C23 | 1.3900 | C60—H60A | 0.9600 |
C22—H22 | 0.9300 | C60—H60B | 0.9600 |
C23—C24 | 1.3900 | C60—H60C | 0.9600 |
C23—H23 | 0.9300 | ||
C1—Sn1—C7 | 110.2 (2) | C25—C30—H30 | 120.0 |
C1—Sn1—C13 | 109.5 (2) | C32—C31—C36 | 120.0 |
C1—Sn1—O1 | 87.9 (2) | C32—C31—Sn2 | 119.9 (3) |
C1—Sn1—O5 | 87.3 (2) | C36—C31—Sn2 | 120.1 (3) |
C7—Sn1—C13 | 140.3 (2) | C31—C32—C33 | 120.0 |
C7—Sn1—O1 | 89.1 (2) | C31—C32—H32 | 120.0 |
C7—Sn1—O5 | 92.4 (2) | C33—C32—H32 | 120.0 |
C13—Sn1—O1 | 89.6 (2) | C34—C33—C32 | 120.0 |
C13—Sn1—O5 | 92.1 (2) | C34—C33—H33 | 120.0 |
O1—Sn1—O5 | 175.2 (2) | C32—C33—H33 | 120.0 |
C19—Sn2—C25 | 124.6 (3) | C33—C34—C35 | 120.0 |
C19—Sn2—C31 | 122.9 (2) | C33—C34—H34 | 120.0 |
C19—Sn2—O3i | 89.9 (2) | C35—C34—H34 | 120.0 |
C19—Sn2—O7 | 91.0 (2) | C34—C35—C36 | 120.0 |
C25—Sn2—C31 | 112.5 (3) | C34—C35—H35 | 120.0 |
C25—Sn2—O3i | 85.8 (3) | C36—C35—H35 | 120.0 |
C25—Sn2—O7 | 91.7 (3) | C35—C36—C31 | 120.0 |
C31—Sn2—O3i | 95.2 (2) | C35—C36—H36 | 120.0 |
C31—Sn2—O7 | 86.4 (2) | C31—C36—H36 | 120.0 |
O3i—Sn2—O7 | 177.4 (2) | O2—C37—O1 | 126.4 (7) |
C41—S1—C38 | 92.8 (4) | O2—C37—C38 | 117.9 (7) |
C44—S2—C47 | 92.2 (4) | O1—C37—C38 | 115.7 (7) |
C37—O1—Sn1 | 117.2 (5) | C39—C38—C37 | 127.3 (7) |
C42—O3—Sn2ii | 118.7 (5) | C39—C38—S1 | 110.1 (6) |
C43—O5—Sn1 | 118.0 (5) | C37—C38—S1 | 122.6 (6) |
C48—O7—Sn2 | 127.5 (5) | C38—C39—C40 | 113.8 (8) |
C53—N1—C49 | 107.9 (6) | C38—C39—H39 | 123.1 |
C53—N1—C51 | 110.3 (7) | C40—C39—H39 | 123.1 |
C49—N1—C51 | 108.5 (6) | C41—C40—C39 | 113.2 (7) |
C53—N1—H1N | 110.0 | C41—C40—H40 | 123.4 |
C49—N1—H1N | 110.0 | C39—C40—H40 | 123.4 |
C51—N1—H1N | 110.0 | C40—C41—C42 | 125.7 (7) |
C55—N2—C57 | 112.7 (7) | C40—C41—S1 | 110.1 (6) |
C55—N2—C59 | 113.7 (7) | C42—C41—S1 | 124.1 (7) |
C57—N2—C59 | 111.0 (6) | O4—C42—O3 | 124.1 (8) |
C55—N2—H2N | 106.2 | O4—C42—C41 | 118.7 (8) |
C57—N2—H2N | 106.2 | O3—C42—C41 | 117.1 (7) |
C59—N2—H2N | 106.2 | O6—C43—O5 | 123.8 (8) |
C2—C1—C6 | 120.0 | O6—C43—C44 | 121.8 (8) |
C2—C1—Sn1 | 119.9 (3) | O5—C43—C44 | 114.4 (7) |
C6—C1—Sn1 | 120.1 (3) | C45—C44—C43 | 130.5 (7) |
C1—C2—C3 | 120.0 | C45—C44—S2 | 110.6 (6) |
C1—C2—H2 | 120.0 | C43—C44—S2 | 118.8 (6) |
C3—C2—H2 | 120.0 | C44—C45—C46 | 113.9 (7) |
C4—C3—C2 | 120.0 | C44—C45—H45 | 123.0 |
C4—C3—H3 | 120.0 | C46—C45—H45 | 123.0 |
C2—C3—H3 | 120.0 | C47—C46—C45 | 112.3 (7) |
C3—C4—C5 | 120.0 | C47—C46—H46 | 123.8 |
C3—C4—H4 | 120.0 | C45—C46—H46 | 123.8 |
C5—C4—H4 | 120.0 | C46—C47—C48 | 128.8 (7) |
C6—C5—C4 | 120.0 | C46—C47—S2 | 110.9 (6) |
C6—C5—H5 | 120.0 | C48—C47—S2 | 120.2 (6) |
C4—C5—H5 | 120.0 | O8—C48—O7 | 126.7 (8) |
C5—C6—C1 | 120.0 | O8—C48—C47 | 118.5 (8) |
C5—C6—H6 | 120.0 | O7—C48—C47 | 114.8 (7) |
C1—C6—H6 | 120.0 | N1—C49—C50 | 110.9 (7) |
C8—C7—C12 | 120.0 | N1—C49—H49A | 109.5 |
C8—C7—Sn1 | 117.2 (3) | C50—C49—H49A | 109.5 |
C12—C7—Sn1 | 122.7 (3) | N1—C49—H49B | 109.5 |
C7—C8—C9 | 120.0 | C50—C49—H49B | 109.5 |
C7—C8—H8 | 120.0 | H49A—C49—H49B | 108.1 |
C9—C8—H8 | 120.0 | C49—C50—H50A | 109.5 |
C10—C9—C8 | 120.0 | C49—C50—H50B | 109.5 |
C10—C9—H9 | 120.0 | H50A—C50—H50B | 109.5 |
C8—C9—H9 | 120.0 | C49—C50—H50C | 109.5 |
C11—C10—C9 | 120.0 | H50A—C50—H50C | 109.5 |
C11—C10—H10 | 120.0 | H50B—C50—H50C | 109.5 |
C9—C10—H10 | 120.0 | N1—C51—C52 | 112.5 (7) |
C10—C11—C12 | 120.0 | N1—C51—H51A | 109.1 |
C10—C11—H11 | 120.0 | C52—C51—H51A | 109.1 |
C12—C11—H11 | 120.0 | N1—C51—H51B | 109.1 |
C11—C12—C7 | 120.0 | C52—C51—H51B | 109.1 |
C11—C12—H12 | 120.0 | H51A—C51—H51B | 107.8 |
C7—C12—H12 | 120.0 | C51—C52—H52A | 109.5 |
C14—C13—C18 | 120.0 | C51—C52—H52B | 109.5 |
C14—C13—Sn1 | 124.3 (3) | H52A—C52—H52B | 109.5 |
C18—C13—Sn1 | 115.5 (3) | C51—C52—H52C | 109.5 |
C15—C14—C13 | 120.0 | H52A—C52—H52C | 109.5 |
C15—C14—H14 | 120.0 | H52B—C52—H52C | 109.5 |
C13—C14—H14 | 120.0 | C54—C53—N1 | 111.9 (9) |
C14—C15—C16 | 120.0 | C54—C53—H53A | 109.2 |
C14—C15—H15 | 120.0 | N1—C53—H53A | 109.2 |
C16—C15—H15 | 120.0 | C54—C53—H53B | 109.2 |
C17—C16—C15 | 120.0 | N1—C53—H53B | 109.2 |
C17—C16—H16 | 120.0 | H53A—C53—H53B | 107.9 |
C15—C16—H16 | 120.0 | C53—C54—H54A | 109.5 |
C16—C17—C18 | 120.0 | C53—C54—H54B | 109.5 |
C16—C17—H17 | 120.0 | H54A—C54—H54B | 109.5 |
C18—C17—H17 | 120.0 | C53—C54—H54C | 109.5 |
C17—C18—C13 | 120.0 | H54A—C54—H54C | 109.5 |
C17—C18—H18 | 120.0 | H54B—C54—H54C | 109.5 |
C13—C18—H18 | 120.0 | N2—C55—C56 | 113.4 (8) |
C20—C19—C24 | 120.0 | N2—C55—H55A | 108.9 |
C20—C19—Sn2 | 121.3 (3) | C56—C55—H55A | 108.9 |
C24—C19—Sn2 | 118.7 (3) | N2—C55—H55B | 108.9 |
C19—C20—C21 | 120.0 | C56—C55—H55B | 108.9 |
C19—C20—H20 | 120.0 | H55A—C55—H55B | 107.7 |
C21—C20—H20 | 120.0 | C55—C56—H56A | 109.5 |
C20—C21—C22 | 120.0 | C55—C56—H56B | 109.5 |
C20—C21—H21 | 120.0 | H56A—C56—H56B | 109.5 |
C22—C21—H21 | 120.0 | C55—C56—H56C | 109.5 |
C23—C22—C21 | 120.0 | H56A—C56—H56C | 109.5 |
C23—C22—H22 | 120.0 | H56B—C56—H56C | 109.5 |
C21—C22—H22 | 120.0 | N2—C57—C58 | 112.8 (8) |
C22—C23—C24 | 120.0 | N2—C57—H57A | 109.0 |
C22—C23—H23 | 120.0 | C58—C57—H57A | 109.0 |
C24—C23—H23 | 120.0 | N2—C57—H57B | 109.0 |
C23—C24—C19 | 120.0 | C58—C57—H57B | 109.0 |
C23—C24—H24 | 120.0 | H57A—C57—H57B | 107.8 |
C19—C24—H24 | 120.0 | C57—C58—H58A | 109.5 |
C26—C25—C30 | 120.0 | C57—C58—H58B | 109.5 |
C26—C25—Sn2 | 122.5 (5) | H58A—C58—H58B | 109.5 |
C30—C25—Sn2 | 117.2 (5) | C57—C58—H58C | 109.5 |
C27—C26—C25 | 120.0 | H58A—C58—H58C | 109.5 |
C27—C26—H26 | 120.0 | H58B—C58—H58C | 109.5 |
C25—C26—H26 | 120.0 | N2—C59—C60 | 113.5 (7) |
C26—C27—C28 | 120.0 | N2—C59—H59A | 108.9 |
C26—C27—H27 | 120.0 | C60—C59—H59A | 108.9 |
C28—C27—H27 | 120.0 | N2—C59—H59B | 108.9 |
C29—C28—C27 | 120.0 | C60—C59—H59B | 108.9 |
C29—C28—H28 | 120.0 | H59A—C59—H59B | 107.7 |
C27—C28—H28 | 120.0 | C59—C60—H60A | 109.5 |
C30—C29—C28 | 120.0 | C59—C60—H60B | 109.5 |
C30—C29—H29 | 120.0 | H60A—C60—H60B | 109.5 |
C28—C29—H29 | 120.0 | C59—C60—H60C | 109.5 |
C29—C30—C25 | 120.0 | H60A—C60—H60C | 109.5 |
C29—C30—H30 | 120.0 | H60B—C60—H60C | 109.5 |
C7—Sn1—O1—C37 | 57.8 (5) | O3i—Sn2—C25—C30 | −62.6 (5) |
C13—Sn1—O1—C37 | −82.5 (5) | C30—C25—C26—C27 | 0.0 |
C1—Sn1—O1—C37 | 168.0 (5) | Sn2—C25—C26—C27 | 172.8 (5) |
C7—Sn1—O5—C43 | −83.9 (6) | C25—C26—C27—C28 | 0.0 |
C13—Sn1—O5—C43 | 56.6 (6) | C26—C27—C28—C29 | 0.0 |
C1—Sn1—O5—C43 | 166.0 (6) | C27—C28—C29—C30 | 0.0 |
C25—Sn2—O7—C48 | 70.8 (7) | C28—C29—C30—C25 | 0.0 |
C19—Sn2—O7—C48 | −53.9 (7) | C26—C25—C30—C29 | 0.0 |
C31—Sn2—O7—C48 | −176.8 (7) | Sn2—C25—C30—C29 | −173.2 (5) |
C7—Sn1—C1—C2 | −117.3 (3) | C25—Sn2—C31—C32 | 103.9 (4) |
C13—Sn1—C1—C2 | 65.6 (4) | C19—Sn2—C31—C32 | −75.3 (4) |
O5—Sn1—C1—C2 | −25.7 (3) | O7—Sn2—C31—C32 | 13.6 (3) |
O1—Sn1—C1—C2 | 154.4 (3) | O3i—Sn2—C31—C32 | −168.5 (3) |
C7—Sn1—C1—C6 | 63.7 (3) | C25—Sn2—C31—C36 | −76.3 (4) |
C13—Sn1—C1—C6 | −113.5 (3) | C19—Sn2—C31—C36 | 104.6 (4) |
O5—Sn1—C1—C6 | 155.2 (3) | O7—Sn2—C31—C36 | −166.6 (4) |
O1—Sn1—C1—C6 | −24.6 (3) | O3i—Sn2—C31—C36 | 11.4 (4) |
C6—C1—C2—C3 | 0.0 | C36—C31—C32—C33 | 0.0 |
Sn1—C1—C2—C3 | −179.0 (4) | Sn2—C31—C32—C33 | 179.9 (5) |
C1—C2—C3—C4 | 0.0 | C31—C32—C33—C34 | 0.0 |
C2—C3—C4—C5 | 0.0 | C32—C33—C34—C35 | 0.0 |
C3—C4—C5—C6 | 0.0 | C33—C34—C35—C36 | 0.0 |
C4—C5—C6—C1 | 0.0 | C34—C35—C36—C31 | 0.0 |
C2—C1—C6—C5 | 0.0 | C32—C31—C36—C35 | 0.0 |
Sn1—C1—C6—C5 | 179.0 (4) | Sn2—C31—C36—C35 | −179.9 (5) |
C13—Sn1—C7—C8 | 116.0 (4) | Sn1—O1—C37—O2 | 12.0 (10) |
C1—Sn1—C7—C8 | −59.7 (4) | Sn1—O1—C37—C38 | −168.8 (5) |
O5—Sn1—C7—C8 | −147.7 (3) | O2—C37—C38—C39 | 7.6 (12) |
O1—Sn1—C7—C8 | 27.8 (3) | O1—C37—C38—C39 | −171.7 (7) |
C13—Sn1—C7—C12 | −67.4 (5) | O2—C37—C38—S1 | −169.6 (6) |
C1—Sn1—C7—C12 | 116.8 (4) | O1—C37—C38—S1 | 11.1 (9) |
O5—Sn1—C7—C12 | 28.8 (4) | C41—S1—C38—C39 | −1.5 (6) |
O1—Sn1—C7—C12 | −155.7 (4) | C41—S1—C38—C37 | 176.1 (6) |
C12—C7—C8—C9 | 0.0 | C37—C38—C39—C40 | −176.2 (7) |
Sn1—C7—C8—C9 | 176.6 (4) | S1—C38—C39—C40 | 1.3 (9) |
C7—C8—C9—C10 | 0.0 | C38—C39—C40—C41 | −0.3 (11) |
C8—C9—C10—C11 | 0.0 | C39—C40—C41—C42 | 174.8 (7) |
C9—C10—C11—C12 | 0.0 | C39—C40—C41—S1 | −0.8 (9) |
C10—C11—C12—C7 | 0.0 | C38—S1—C41—C40 | 1.3 (6) |
C8—C7—C12—C11 | 0.0 | C38—S1—C41—C42 | −174.4 (7) |
Sn1—C7—C12—C11 | −176.4 (4) | Sn2ii—O3—C42—O4 | −6.4 (12) |
C7—Sn1—C13—C14 | −36.0 (5) | Sn2ii—O3—C42—C41 | 175.9 (5) |
C1—Sn1—C13—C14 | 139.8 (3) | C40—C41—C42—O4 | −30.4 (12) |
O5—Sn1—C13—C14 | −132.4 (4) | S1—C41—C42—O4 | 144.6 (7) |
O1—Sn1—C13—C14 | 52.1 (4) | C40—C41—C42—O3 | 147.4 (8) |
C7—Sn1—C13—C18 | 149.6 (4) | S1—C41—C42—O3 | −37.6 (11) |
C1—Sn1—C13—C18 | −34.6 (4) | Sn1—O5—C43—O6 | 5.4 (11) |
O5—Sn1—C13—C18 | 53.2 (3) | Sn1—O5—C43—C44 | −173.4 (5) |
O1—Sn1—C13—C18 | −122.3 (3) | O6—C43—C44—C45 | 164.6 (9) |
C18—C13—C14—C15 | 0.0 | O5—C43—C44—C45 | −16.5 (12) |
Sn1—C13—C14—C15 | −174.2 (4) | O6—C43—C44—S2 | −10.6 (11) |
C13—C14—C15—C16 | 0.0 | O5—C43—C44—S2 | 168.3 (6) |
C14—C15—C16—C17 | 0.0 | C47—S2—C44—C45 | 1.5 (6) |
C15—C16—C17—C18 | 0.0 | C47—S2—C44—C43 | 177.6 (6) |
C16—C17—C18—C13 | 0.0 | C43—C44—C45—C46 | −177.9 (8) |
C14—C13—C18—C17 | 0.0 | S2—C44—C45—C46 | −2.4 (9) |
Sn1—C13—C18—C17 | 174.7 (4) | C44—C45—C46—C47 | 2.3 (10) |
C25—Sn2—C19—C20 | 48.2 (5) | C45—C46—C47—C48 | 178.9 (7) |
C31—Sn2—C19—C20 | −132.8 (4) | C45—C46—C47—S2 | −1.0 (9) |
O7—Sn2—C19—C20 | 140.9 (4) | C44—S2—C47—C46 | −0.3 (6) |
O3i—Sn2—C19—C20 | −36.7 (4) | C44—S2—C47—C48 | 179.8 (6) |
C25—Sn2—C19—C24 | −132.5 (4) | Sn2—O7—C48—O8 | −5.4 (14) |
C31—Sn2—C19—C24 | 46.6 (4) | Sn2—O7—C48—C47 | 175.8 (5) |
O7—Sn2—C19—C24 | −39.8 (4) | C46—C47—C48—O8 | −3.7 (13) |
O3i—Sn2—C19—C24 | 142.7 (4) | S2—C47—C48—O8 | 176.3 (7) |
C24—C19—C20—C21 | 0.0 | C46—C47—C48—O7 | 175.2 (8) |
Sn2—C19—C20—C21 | 179.3 (5) | S2—C47—C48—O7 | −4.8 (10) |
C19—C20—C21—C22 | 0.0 | C53—N1—C49—C50 | 61.2 (13) |
C20—C21—C22—C23 | 0.0 | C51—N1—C49—C50 | −179.3 (9) |
C21—C22—C23—C24 | 0.0 | C53—N1—C51—C52 | −177.3 (9) |
C22—C23—C24—C19 | 0.0 | C49—N1—C51—C52 | 64.8 (10) |
C20—C19—C24—C23 | 0.0 | C49—N1—C53—C54 | −173.7 (14) |
Sn2—C19—C24—C23 | −179.3 (4) | C51—N1—C53—C54 | 68.0 (17) |
C19—Sn2—C25—C26 | 37.5 (6) | C57—N2—C55—C56 | −60.6 (15) |
C31—Sn2—C25—C26 | −141.7 (5) | C59—N2—C55—C56 | 66.9 (14) |
O7—Sn2—C25—C26 | −54.9 (5) | C55—N2—C57—C58 | −58.0 (15) |
O3i—Sn2—C25—C26 | 124.5 (5) | C59—N2—C57—C58 | 173.1 (11) |
C19—Sn2—C25—C30 | −149.5 (5) | C55—N2—C59—C60 | 60.1 (13) |
C31—Sn2—C25—C30 | 31.3 (5) | C57—N2—C59—C60 | −171.5 (11) |
O7—Sn2—C25—C30 | 118.1 (5) |
Symmetry codes: (i) x−1, y−1, z−1; (ii) x+1, y+1, z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1n···O4 | 0.91 | 1.86 | 2.762 (9) | 169 |
N2—H2n···O8 | 0.91 | 1.80 | 2.709 (10) | 177 |