Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806015662/hb2043sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806015662/hb2043Isup2.hkl |
CCDC reference: 610780
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 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
[Sn(C10H13)3(C6H4NO3)] | Z = 2 |
Mr = 656.40 | F(000) = 680 |
Triclinic, P1 | Dx = 1.322 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.9002 (4) Å | Cell parameters from 6938 reflections |
b = 12.1230 (5) Å | θ = 2.3–28.3° |
c = 14.4012 (6) Å | µ = 0.81 mm−1 |
α = 86.585 (1)° | T = 273 K |
β = 75.938 (1)° | Plate, pale yellow |
γ = 79.725 (1)° | 0.32 × 0.25 × 0.09 mm |
V = 1649.51 (12) Å3 |
Bruker SMART APEX CCD diffractometer | 6787 independent reflections |
Radiation source: fine-focus sealed tube | 6450 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.018 |
φ and ω scans | θmax = 26.5°, θmin = 1.5° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −12→12 |
Tmin = 0.782, Tmax = 0.931 | k = −15→15 |
17940 measured reflections | l = −18→18 |
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)] = 0.024 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.062 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0359P)2 + 0.293P] where P = (Fo2 + 2Fc2)/3 |
6787 reflections | (Δ/σ)max = 0.001 |
376 parameters | Δρmax = 0.33 e Å−3 |
23 restraints | Δρmin = −0.29 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Sn1 | 0.128418 (11) | 0.738588 (9) | 0.307856 (8) | 0.04210 (5) | |
N1 | −0.4796 (2) | 0.7744 (2) | 0.68518 (15) | 0.0837 (7) | |
O1 | 0.03682 (15) | 0.65426 (12) | 0.42716 (10) | 0.0627 (4) | |
O2 | −0.4982 (3) | 0.8587 (3) | 0.7324 (2) | 0.1335 (10) | |
O3 | −0.5672 (2) | 0.7140 (2) | 0.69375 (15) | 0.1146 (8) | |
C1 | −0.0868 (2) | 0.68588 (16) | 0.48845 (13) | 0.0513 (4) | |
C2 | −0.1204 (2) | 0.78684 (19) | 0.53586 (17) | 0.0686 (6) | |
H2A | −0.0556 | 0.8358 | 0.5241 | 0.082* | |
C3 | −0.2490 (3) | 0.8158 (2) | 0.60038 (17) | 0.0723 (6) | |
H3 | −0.2706 | 0.8836 | 0.6321 | 0.087* | |
C4 | −0.3436 (2) | 0.7439 (2) | 0.61692 (14) | 0.0604 (5) | |
C5 | −0.3134 (2) | 0.6427 (2) | 0.57153 (16) | 0.0644 (5) | |
H5 | −0.3789 | 0.5942 | 0.5839 | 0.077* | |
C6 | −0.1853 (2) | 0.61386 (18) | 0.50773 (15) | 0.0607 (5) | |
H6 | −0.1642 | 0.5454 | 0.4771 | 0.073* | |
C7 | −0.05356 (19) | 0.81330 (16) | 0.25572 (15) | 0.0523 (4) | |
H7A | −0.0472 | 0.7776 | 0.1960 | 0.063* | |
H7B | −0.1364 | 0.7942 | 0.3010 | 0.063* | |
C8 | −0.0805 (2) | 0.94098 (16) | 0.23794 (15) | 0.0545 (4) | |
C9 | −0.1851 (2) | 0.9665 (2) | 0.1728 (2) | 0.0768 (7) | |
H9A | −0.2079 | 1.0461 | 0.1636 | 0.115* | |
H9B | −0.2698 | 0.9374 | 0.2022 | 0.115* | |
H9C | −0.1430 | 0.9319 | 0.1119 | 0.115* | |
C10 | −0.1474 (3) | 0.9985 (2) | 0.3338 (2) | 0.0861 (8) | |
H10A | −0.0802 | 0.9875 | 0.3731 | 0.129* | |
H10B | −0.2291 | 0.9668 | 0.3657 | 0.129* | |
H10C | −0.1750 | 1.0773 | 0.3229 | 0.129* | |
C11 | 0.0562 (2) | 0.98155 (16) | 0.18709 (15) | 0.0531 (4) | |
C12 | 0.1473 (3) | 0.9209 (2) | 0.11120 (17) | 0.0691 (6) | |
H12 | 0.1234 | 0.8564 | 0.0924 | 0.083* | |
C13 | 0.2726 (3) | 0.9542 (3) | 0.0628 (2) | 0.0927 (8) | |
H13 | 0.3319 | 0.9119 | 0.0124 | 0.111* | |
C14 | 0.3094 (4) | 1.0488 (3) | 0.0890 (3) | 0.1045 (10) | |
H14 | 0.3942 | 1.0709 | 0.0570 | 0.125* | |
C15 | 0.2211 (4) | 1.1110 (3) | 0.1624 (3) | 0.1009 (10) | |
H15 | 0.2455 | 1.1761 | 0.1796 | 0.121* | |
C16 | 0.0947 (3) | 1.07826 (19) | 0.2118 (2) | 0.0756 (7) | |
H16 | 0.0358 | 1.1216 | 0.2617 | 0.091* | |
C17 | 0.2438 (2) | 0.84692 (16) | 0.35988 (15) | 0.0527 (4) | |
H17A | 0.2711 | 0.9012 | 0.3096 | 0.063* | |
H17B | 0.1799 | 0.8882 | 0.4134 | 0.063* | |
C18 | 0.3779 (2) | 0.79017 (17) | 0.39257 (15) | 0.0564 (5) | |
C19 | 0.3341 (3) | 0.7147 (2) | 0.47930 (17) | 0.0801 (7) | |
H19A | 0.2971 | 0.6539 | 0.4604 | 0.120* | |
H19B | 0.2629 | 0.7574 | 0.5275 | 0.120* | |
H19C | 0.4148 | 0.6854 | 0.5046 | 0.120* | |
C20 | 0.4481 (3) | 0.8814 (2) | 0.4227 (2) | 0.0793 (7) | |
H20A | 0.5321 | 0.8469 | 0.4423 | 0.119* | |
H20B | 0.3837 | 0.9225 | 0.4751 | 0.119* | |
H20C | 0.4724 | 0.9317 | 0.3696 | 0.119* | |
C21 | 0.4839 (2) | 0.72585 (18) | 0.30927 (16) | 0.0574 (5) | |
C22 | 0.5161 (3) | 0.7755 (2) | 0.21933 (18) | 0.0724 (6) | |
H22 | 0.4752 | 0.8495 | 0.2106 | 0.087* | |
C23 | 0.6080 (3) | 0.7178 (3) | 0.1415 (2) | 0.0948 (9) | |
H23 | 0.6281 | 0.7536 | 0.0821 | 0.114* | |
C24 | 0.6685 (3) | 0.6094 (3) | 0.1522 (3) | 0.1001 (11) | |
H24 | 0.7264 | 0.5698 | 0.0998 | 0.120* | |
C25 | 0.6433 (3) | 0.5594 (3) | 0.2406 (3) | 0.0967 (10) | |
H25 | 0.6876 | 0.4864 | 0.2488 | 0.116* | |
C26 | 0.5515 (3) | 0.6170 (2) | 0.3192 (2) | 0.0766 (7) | |
H26 | 0.5357 | 0.5815 | 0.3790 | 0.092* | |
C27 | 0.25668 (18) | 0.59189 (15) | 0.23748 (13) | 0.0453 (4) | |
H27A | 0.3423 | 0.6140 | 0.1981 | 0.054* | |
H27B | 0.2844 | 0.5405 | 0.2864 | 0.054* | |
C28 | 0.19556 (19) | 0.52582 (14) | 0.17375 (13) | 0.0455 (4) | |
C29 | 0.3036 (3) | 0.41778 (17) | 0.14298 (16) | 0.0638 (5) | |
H29A | 0.2716 | 0.3772 | 0.0996 | 0.096* | |
H29B | 0.3126 | 0.3717 | 0.1985 | 0.096* | |
H29C | 0.3937 | 0.4374 | 0.1118 | 0.096* | |
C30 | 0.0574 (2) | 0.4917 (2) | 0.23224 (16) | 0.0645 (5) | |
H30A | −0.0129 | 0.5575 | 0.2487 | 0.097* | |
H30B | 0.0735 | 0.4529 | 0.2897 | 0.097* | |
H30C | 0.0252 | 0.4433 | 0.1950 | 0.097* | |
C31 | 0.17821 (18) | 0.59336 (14) | 0.08306 (12) | 0.0444 (4) | |
C32 | 0.2944 (2) | 0.63137 (17) | 0.02252 (14) | 0.0569 (5) | |
H32 | 0.3810 | 0.6172 | 0.0391 | 0.068* | |
C33 | 0.2833 (3) | 0.6896 (2) | −0.06150 (16) | 0.0720 (6) | |
H33 | 0.3624 | 0.7132 | −0.1011 | 0.086* | |
C34 | 0.1563 (3) | 0.7127 (2) | −0.08674 (17) | 0.0784 (7) | |
H34 | 0.1488 | 0.7520 | −0.1432 | 0.094* | |
C35 | 0.0408 (3) | 0.6775 (2) | −0.02833 (19) | 0.0758 (7) | |
H35 | −0.0458 | 0.6938 | −0.0449 | 0.091* | |
C36 | 0.0511 (2) | 0.61767 (18) | 0.05555 (16) | 0.0592 (5) | |
H36 | −0.0286 | 0.5935 | 0.0940 | 0.071* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.03973 (7) | 0.04147 (7) | 0.04277 (8) | −0.00435 (5) | −0.00626 (5) | −0.00444 (5) |
N1 | 0.0561 (12) | 0.1186 (19) | 0.0593 (12) | 0.0065 (12) | −0.0012 (9) | 0.0180 (12) |
O1 | 0.0603 (8) | 0.0576 (8) | 0.0547 (8) | 0.0004 (6) | 0.0066 (6) | 0.0071 (6) |
O2 | 0.0933 (16) | 0.148 (2) | 0.1207 (19) | 0.0149 (15) | 0.0300 (14) | −0.0350 (18) |
O3 | 0.0626 (11) | 0.186 (2) | 0.0842 (14) | −0.0280 (14) | 0.0033 (10) | 0.0177 (14) |
C1 | 0.0535 (10) | 0.0514 (10) | 0.0418 (9) | −0.0016 (8) | −0.0043 (8) | 0.0072 (8) |
C2 | 0.0663 (13) | 0.0611 (13) | 0.0704 (14) | −0.0173 (10) | 0.0056 (11) | −0.0077 (10) |
C3 | 0.0755 (15) | 0.0639 (13) | 0.0648 (13) | −0.0039 (11) | 0.0042 (11) | −0.0108 (11) |
C4 | 0.0505 (10) | 0.0780 (14) | 0.0427 (10) | 0.0040 (10) | −0.0054 (8) | 0.0119 (9) |
C5 | 0.0557 (11) | 0.0742 (14) | 0.0631 (12) | −0.0168 (10) | −0.0140 (10) | 0.0182 (11) |
C6 | 0.0667 (12) | 0.0546 (11) | 0.0581 (11) | −0.0102 (9) | −0.0108 (10) | 0.0028 (9) |
C7 | 0.0440 (9) | 0.0485 (10) | 0.0641 (11) | −0.0073 (8) | −0.0126 (8) | 0.0002 (8) |
C8 | 0.0488 (10) | 0.0464 (10) | 0.0651 (12) | 0.0015 (8) | −0.0132 (9) | −0.0061 (9) |
C9 | 0.0598 (13) | 0.0658 (14) | 0.1077 (19) | 0.0015 (11) | −0.0365 (13) | 0.0075 (13) |
C10 | 0.0825 (17) | 0.0735 (16) | 0.0855 (17) | 0.0062 (13) | 0.0032 (14) | −0.0237 (13) |
C11 | 0.0582 (11) | 0.0434 (9) | 0.0604 (11) | −0.0064 (8) | −0.0223 (9) | 0.0048 (8) |
C12 | 0.0670 (13) | 0.0752 (15) | 0.0653 (13) | −0.0202 (11) | −0.0099 (11) | −0.0024 (11) |
C13 | 0.0774 (17) | 0.117 (2) | 0.0805 (18) | −0.0340 (17) | −0.0023 (14) | 0.0085 (16) |
C14 | 0.090 (2) | 0.117 (3) | 0.112 (2) | −0.0499 (19) | −0.0200 (18) | 0.038 (2) |
C15 | 0.123 (3) | 0.0718 (17) | 0.132 (3) | −0.0499 (18) | −0.060 (2) | 0.0266 (18) |
C16 | 0.0946 (18) | 0.0495 (12) | 0.0921 (17) | −0.0174 (12) | −0.0379 (14) | 0.0056 (11) |
C17 | 0.0506 (10) | 0.0483 (10) | 0.0596 (11) | −0.0052 (8) | −0.0132 (8) | −0.0131 (8) |
C18 | 0.0571 (11) | 0.0586 (11) | 0.0583 (11) | −0.0084 (9) | −0.0211 (9) | −0.0112 (9) |
C19 | 0.0848 (17) | 0.0990 (19) | 0.0608 (13) | −0.0146 (14) | −0.0276 (12) | 0.0044 (13) |
C20 | 0.0748 (15) | 0.0820 (17) | 0.0920 (18) | −0.0138 (13) | −0.0322 (14) | −0.0334 (14) |
C21 | 0.0424 (9) | 0.0608 (11) | 0.0743 (13) | −0.0078 (8) | −0.0211 (9) | −0.0171 (10) |
C22 | 0.0635 (13) | 0.0740 (15) | 0.0775 (15) | −0.0200 (11) | −0.0037 (11) | −0.0119 (12) |
C23 | 0.0713 (16) | 0.122 (3) | 0.0881 (19) | −0.0361 (17) | 0.0088 (14) | −0.0301 (18) |
C24 | 0.0529 (14) | 0.124 (3) | 0.121 (3) | −0.0183 (16) | 0.0011 (15) | −0.056 (2) |
C25 | 0.0596 (15) | 0.0800 (18) | 0.153 (3) | 0.0135 (13) | −0.0366 (18) | −0.047 (2) |
C26 | 0.0636 (13) | 0.0712 (15) | 0.1017 (19) | 0.0007 (11) | −0.0372 (13) | −0.0163 (13) |
C27 | 0.0413 (8) | 0.0485 (9) | 0.0455 (9) | −0.0018 (7) | −0.0116 (7) | −0.0084 (7) |
C28 | 0.0485 (9) | 0.0425 (9) | 0.0461 (9) | −0.0079 (7) | −0.0113 (7) | −0.0046 (7) |
C29 | 0.0841 (15) | 0.0434 (10) | 0.0614 (12) | 0.0043 (10) | −0.0214 (11) | −0.0082 (9) |
C30 | 0.0700 (13) | 0.0679 (13) | 0.0613 (12) | −0.0305 (11) | −0.0136 (10) | 0.0010 (10) |
C31 | 0.0486 (9) | 0.0406 (8) | 0.0441 (9) | −0.0048 (7) | −0.0111 (7) | −0.0091 (7) |
C32 | 0.0534 (11) | 0.0584 (11) | 0.0528 (11) | −0.0039 (9) | −0.0045 (8) | −0.0032 (9) |
C33 | 0.0858 (16) | 0.0698 (14) | 0.0509 (12) | −0.0105 (12) | −0.0005 (11) | 0.0010 (10) |
C34 | 0.120 (2) | 0.0617 (14) | 0.0541 (12) | −0.0022 (14) | −0.0324 (14) | 0.0003 (10) |
C35 | 0.0876 (17) | 0.0736 (15) | 0.0780 (16) | −0.0031 (13) | −0.0490 (14) | −0.0056 (12) |
C36 | 0.0583 (11) | 0.0627 (12) | 0.0636 (12) | −0.0131 (9) | −0.0243 (10) | −0.0060 (10) |
Sn1—O1 | 2.0454 (13) | C18—C19 | 1.525 (3) |
Sn1—C27 | 2.1415 (17) | C18—C21 | 1.535 (3) |
Sn1—C7 | 2.1504 (18) | C18—C20 | 1.541 (3) |
Sn1—C17 | 2.1584 (18) | C19—H19A | 0.9600 |
N1—O3 | 1.211 (3) | C19—H19B | 0.9600 |
N1—O2 | 1.223 (4) | C19—H19C | 0.9600 |
N1—C4 | 1.462 (3) | C20—H20A | 0.9600 |
O1—C1 | 1.331 (2) | C20—H20B | 0.9600 |
C1—C2 | 1.385 (3) | C20—H20C | 0.9600 |
C1—C6 | 1.390 (3) | C21—C22 | 1.385 (3) |
C2—C3 | 1.383 (3) | C21—C26 | 1.385 (3) |
C2—H2A | 0.9300 | C22—C23 | 1.395 (4) |
C3—C4 | 1.361 (3) | C22—H22 | 0.9300 |
C3—H3 | 0.9300 | C23—C24 | 1.359 (4) |
C4—C5 | 1.375 (3) | C23—H23 | 0.9300 |
C5—C6 | 1.374 (3) | C24—C25 | 1.363 (4) |
C5—H5 | 0.9300 | C24—H24 | 0.9300 |
C6—H6 | 0.9300 | C25—C26 | 1.401 (4) |
C7—C8 | 1.540 (3) | C25—H25 | 0.9300 |
C7—H7A | 0.9700 | C26—H26 | 0.9300 |
C7—H7B | 0.9700 | C27—C28 | 1.543 (2) |
C8—C11 | 1.524 (3) | C27—H27A | 0.9700 |
C8—C10 | 1.529 (3) | C27—H27B | 0.9700 |
C8—C9 | 1.541 (3) | C28—C31 | 1.529 (2) |
C9—H9A | 0.9600 | C28—C30 | 1.534 (3) |
C9—H9B | 0.9600 | C28—C29 | 1.548 (3) |
C9—H9C | 0.9600 | C29—H29A | 0.9600 |
C10—H10A | 0.9600 | C29—H29B | 0.9600 |
C10—H10B | 0.9600 | C29—H29C | 0.9600 |
C10—H10C | 0.9600 | C30—H30A | 0.9600 |
C11—C16 | 1.386 (3) | C30—H30B | 0.9600 |
C11—C12 | 1.388 (3) | C30—H30C | 0.9600 |
C12—C13 | 1.383 (3) | C31—C36 | 1.387 (3) |
C12—H12 | 0.9300 | C31—C32 | 1.396 (3) |
C13—C14 | 1.363 (4) | C32—C33 | 1.382 (3) |
C13—H13 | 0.9300 | C32—H32 | 0.9300 |
C14—C15 | 1.364 (4) | C33—C34 | 1.369 (4) |
C14—H14 | 0.9300 | C33—H33 | 0.9300 |
C15—C16 | 1.393 (4) | C34—C35 | 1.364 (4) |
C15—H15 | 0.9300 | C34—H34 | 0.9300 |
C16—H16 | 0.9300 | C35—C36 | 1.387 (3) |
C17—C18 | 1.548 (3) | C35—H35 | 0.9300 |
C17—H17A | 0.9700 | C36—H36 | 0.9300 |
C17—H17B | 0.9700 | ||
O1—Sn1—C27 | 95.05 (6) | C19—C18—C20 | 108.49 (19) |
O1—Sn1—C7 | 101.12 (7) | C21—C18—C20 | 108.07 (18) |
C27—Sn1—C7 | 117.47 (7) | C19—C18—C17 | 108.64 (18) |
O1—Sn1—C17 | 104.58 (7) | C21—C18—C17 | 109.99 (16) |
C27—Sn1—C17 | 114.52 (7) | C20—C18—C17 | 109.00 (18) |
C7—Sn1—C17 | 118.62 (7) | C18—C19—H19A | 109.5 |
O3—N1—O2 | 123.1 (2) | C18—C19—H19B | 109.5 |
O3—N1—C4 | 118.6 (3) | H19A—C19—H19B | 109.5 |
O2—N1—C4 | 118.2 (3) | C18—C19—H19C | 109.5 |
C1—O1—Sn1 | 127.98 (12) | H19A—C19—H19C | 109.5 |
O1—C1—C2 | 122.63 (19) | H19B—C19—H19C | 109.5 |
O1—C1—C6 | 118.97 (19) | C18—C20—H20A | 109.5 |
C2—C1—C6 | 118.38 (19) | C18—C20—H20B | 109.5 |
C3—C2—C1 | 120.9 (2) | H20A—C20—H20B | 109.5 |
C3—C2—H2A | 119.6 | C18—C20—H20C | 109.5 |
C1—C2—H2A | 119.6 | H20A—C20—H20C | 109.5 |
C4—C3—C2 | 119.3 (2) | H20B—C20—H20C | 109.5 |
C4—C3—H3 | 120.4 | C22—C21—C26 | 116.7 (2) |
C2—C3—H3 | 120.4 | C22—C21—C18 | 120.6 (2) |
C3—C4—C5 | 121.37 (19) | C26—C21—C18 | 122.7 (2) |
C3—C4—N1 | 119.2 (2) | C21—C22—C23 | 121.8 (3) |
C5—C4—N1 | 119.4 (2) | C21—C22—H22 | 119.1 |
C6—C5—C4 | 119.3 (2) | C23—C22—H22 | 119.1 |
C6—C5—H5 | 120.3 | C24—C23—C22 | 120.3 (3) |
C4—C5—H5 | 120.3 | C24—C23—H23 | 119.9 |
C5—C6—C1 | 120.8 (2) | C22—C23—H23 | 119.9 |
C5—C6—H6 | 119.6 | C23—C24—C25 | 119.4 (3) |
C1—C6—H6 | 119.6 | C23—C24—H24 | 120.3 |
C8—C7—Sn1 | 119.11 (13) | C25—C24—H24 | 120.3 |
C8—C7—H7A | 107.5 | C24—C25—C26 | 120.7 (3) |
Sn1—C7—H7A | 107.5 | C24—C25—H25 | 119.7 |
C8—C7—H7B | 107.5 | C26—C25—H25 | 119.7 |
Sn1—C7—H7B | 107.5 | C21—C26—C25 | 121.0 (3) |
H7A—C7—H7B | 107.0 | C21—C26—H26 | 119.5 |
C11—C8—C10 | 112.02 (19) | C25—C26—H26 | 119.5 |
C11—C8—C7 | 110.64 (15) | C28—C27—Sn1 | 119.13 (11) |
C10—C8—C7 | 108.70 (19) | C28—C27—H27A | 107.5 |
C11—C8—C9 | 108.48 (18) | Sn1—C27—H27A | 107.5 |
C10—C8—C9 | 109.03 (19) | C28—C27—H27B | 107.5 |
C7—C8—C9 | 107.88 (17) | Sn1—C27—H27B | 107.5 |
C8—C9—H9A | 109.5 | H27A—C27—H27B | 107.0 |
C8—C9—H9B | 109.5 | C31—C28—C30 | 113.08 (16) |
H9A—C9—H9B | 109.5 | C31—C28—C27 | 110.62 (14) |
C8—C9—H9C | 109.5 | C30—C28—C27 | 109.49 (15) |
H9A—C9—H9C | 109.5 | C31—C28—C29 | 107.77 (15) |
H9B—C9—H9C | 109.5 | C30—C28—C29 | 108.23 (17) |
C8—C10—H10A | 109.5 | C27—C28—C29 | 107.45 (15) |
C8—C10—H10B | 109.5 | C28—C29—H29A | 109.5 |
H10A—C10—H10B | 109.5 | C28—C29—H29B | 109.5 |
C8—C10—H10C | 109.5 | H29A—C29—H29B | 109.5 |
H10A—C10—H10C | 109.5 | C28—C29—H29C | 109.5 |
H10B—C10—H10C | 109.5 | H29A—C29—H29C | 109.5 |
C16—C11—C12 | 117.3 (2) | H29B—C29—H29C | 109.5 |
C16—C11—C8 | 123.2 (2) | C28—C30—H30A | 109.5 |
C12—C11—C8 | 119.47 (18) | C28—C30—H30B | 109.5 |
C13—C12—C11 | 121.7 (2) | H30A—C30—H30B | 109.5 |
C13—C12—H12 | 119.2 | C28—C30—H30C | 109.5 |
C11—C12—H12 | 119.2 | H30A—C30—H30C | 109.5 |
C14—C13—C12 | 120.1 (3) | H30B—C30—H30C | 109.5 |
C14—C13—H13 | 119.9 | C36—C31—C32 | 117.01 (18) |
C12—C13—H13 | 119.9 | C36—C31—C28 | 123.02 (17) |
C13—C14—C15 | 119.5 (3) | C32—C31—C28 | 119.95 (16) |
C13—C14—H14 | 120.2 | C33—C32—C31 | 121.4 (2) |
C15—C14—H14 | 120.2 | C33—C32—H32 | 119.3 |
C14—C15—C16 | 120.9 (3) | C31—C32—H32 | 119.3 |
C14—C15—H15 | 119.5 | C34—C33—C32 | 120.3 (2) |
C16—C15—H15 | 119.5 | C34—C33—H33 | 119.8 |
C11—C16—C15 | 120.4 (3) | C32—C33—H33 | 119.8 |
C11—C16—H16 | 119.8 | C35—C34—C33 | 119.4 (2) |
C15—C16—H16 | 119.8 | C35—C34—H34 | 120.3 |
C18—C17—Sn1 | 116.96 (13) | C33—C34—H34 | 120.3 |
C18—C17—H17A | 108.1 | C34—C35—C36 | 120.7 (2) |
Sn1—C17—H17A | 108.1 | C34—C35—H35 | 119.6 |
C18—C17—H17B | 108.1 | C36—C35—H35 | 119.6 |
Sn1—C17—H17B | 108.1 | C35—C36—C31 | 121.1 (2) |
H17A—C17—H17B | 107.3 | C35—C36—H36 | 119.5 |
C19—C18—C21 | 112.57 (19) | C31—C36—H36 | 119.5 |
C27—Sn1—O1—C1 | −155.95 (18) | C27—Sn1—C17—C18 | −31.65 (17) |
C7—Sn1—O1—C1 | −36.66 (19) | C7—Sn1—C17—C18 | −177.37 (14) |
C17—Sn1—O1—C1 | 87.08 (18) | Sn1—C17—C18—C19 | −64.4 (2) |
Sn1—O1—C1—C2 | −55.7 (3) | Sn1—C17—C18—C21 | 59.2 (2) |
Sn1—O1—C1—C6 | 125.93 (18) | Sn1—C17—C18—C20 | 177.54 (16) |
O1—C1—C2—C3 | −178.8 (2) | C19—C18—C21—C22 | 168.3 (2) |
C6—C1—C2—C3 | −0.4 (3) | C20—C18—C21—C22 | −71.9 (2) |
C1—C2—C3—C4 | −0.2 (4) | C17—C18—C21—C22 | 47.0 (2) |
C2—C3—C4—C5 | 0.7 (4) | C19—C18—C21—C26 | −11.5 (3) |
C2—C3—C4—N1 | 180.0 (2) | C20—C18—C21—C26 | 108.3 (2) |
O3—N1—C4—C3 | 174.3 (2) | C17—C18—C21—C26 | −132.8 (2) |
O2—N1—C4—C3 | −7.2 (3) | C26—C21—C22—C23 | 2.2 (3) |
O3—N1—C4—C5 | −6.4 (3) | C18—C21—C22—C23 | −177.6 (2) |
O2—N1—C4—C5 | 172.1 (2) | C21—C22—C23—C24 | 0.4 (4) |
C3—C4—C5—C6 | −0.4 (3) | C22—C23—C24—C25 | −2.9 (4) |
N1—C4—C5—C6 | −179.69 (19) | C23—C24—C25—C26 | 2.7 (4) |
C4—C5—C6—C1 | −0.3 (3) | C22—C21—C26—C25 | −2.4 (3) |
O1—C1—C6—C5 | 179.10 (18) | C18—C21—C26—C25 | 177.4 (2) |
C2—C1—C6—C5 | 0.7 (3) | C24—C25—C26—C21 | 0.0 (4) |
O1—Sn1—C7—C8 | 125.50 (15) | O1—Sn1—C27—C28 | 88.13 (14) |
C27—Sn1—C7—C8 | −132.77 (15) | C7—Sn1—C27—C28 | −17.19 (16) |
C17—Sn1—C7—C8 | 11.95 (18) | C17—Sn1—C27—C28 | −163.32 (13) |
Sn1—C7—C8—C11 | 43.9 (2) | Sn1—C27—C28—C31 | 69.36 (17) |
Sn1—C7—C8—C10 | −79.5 (2) | Sn1—C27—C28—C30 | −55.91 (19) |
Sn1—C7—C8—C9 | 162.39 (15) | Sn1—C27—C28—C29 | −173.25 (13) |
C10—C8—C11—C16 | −15.8 (3) | C30—C28—C31—C36 | −2.0 (2) |
C7—C8—C11—C16 | −137.3 (2) | C27—C28—C31—C36 | −125.21 (18) |
C9—C8—C11—C16 | 104.6 (2) | C29—C28—C31—C36 | 117.6 (2) |
C10—C8—C11—C12 | 165.2 (2) | C30—C28—C31—C32 | 179.51 (17) |
C7—C8—C11—C12 | 43.7 (3) | C27—C28—C31—C32 | 56.3 (2) |
C9—C8—C11—C12 | −74.5 (2) | C29—C28—C31—C32 | −60.9 (2) |
C16—C11—C12—C13 | 1.0 (4) | C36—C31—C32—C33 | −0.6 (3) |
C8—C11—C12—C13 | −179.9 (2) | C28—C31—C32—C33 | 177.95 (18) |
C11—C12—C13—C14 | −0.2 (5) | C31—C32—C33—C34 | 0.8 (3) |
C12—C13—C14—C15 | −0.7 (5) | C32—C33—C34—C35 | −0.1 (4) |
C13—C14—C15—C16 | 0.9 (5) | C33—C34—C35—C36 | −0.7 (4) |
C12—C11—C16—C15 | −0.8 (3) | C34—C35—C36—C31 | 0.9 (4) |
C8—C11—C16—C15 | −179.9 (2) | C32—C31—C36—C35 | −0.2 (3) |
C14—C15—C16—C11 | −0.1 (4) | C28—C31—C36—C35 | −178.77 (19) |
O1—Sn1—C17—C18 | 70.98 (15) |