Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680600448X/bh6067sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680600448X/bh6067Isup2.hkl |
CCDC reference: 601784
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(C10H6NO4)] | F(000) = 1496 |
Mr = 722.46 | Dx = 1.331 Mg m−3 |
Monoclinic, P21/c | Melting point = 386–387 K |
Hall symbol: -P 2ybc | Mo Kα radiation, λ = 0.71073 Å |
a = 10.0019 (12) Å | Cell parameters from 5308 reflections |
b = 10.9043 (13) Å | θ = 2.2–25.7° |
c = 33.233 (4) Å | µ = 0.75 mm−1 |
β = 96.101 (2)° | T = 295 K |
V = 3604.0 (7) Å3 | Block, colourless |
Z = 4 | 0.19 × 0.18 × 0.18 mm |
Bruker SMART APEX area-detector diffractometer | 7409 independent reflections |
Radiation source: fine-focus sealed tube | 6457 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.024 |
φ and ω scans | θmax = 26.5°, θmin = 1.2° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −12→12 |
Tmin = 0.871, Tmax = 0.877 | k = −13→13 |
26020 measured reflections | l = −41→41 |
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)] = 0.037 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.091 | H-atom parameters constrained |
S = 1.10 | w = 1/[σ2(Fo2) + (0.0427P)2 + 1.4856P] where P = (Fo2 + 2Fc2)/3 |
7409 reflections | (Δ/σ)max = 0.001 |
415 parameters | Δρmax = 0.68 e Å−3 |
0 restraints | Δρmin = −0.59 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 | 0.296850 (17) | 0.397569 (16) | 0.623907 (5) | 0.04459 (7) | |
O1 | 0.1699 (2) | 0.2307 (2) | 0.55653 (7) | 0.0730 (6) | |
O2 | 0.36772 (19) | 0.24922 (17) | 0.59349 (6) | 0.0551 (5) | |
O3 | 0.4648 (3) | −0.0576 (3) | 0.61427 (9) | 0.0989 (9) | |
O4 | 0.5553 (3) | 0.1646 (3) | 0.50438 (8) | 0.0918 (8) | |
N1 | 0.4774 (3) | 0.0600 (3) | 0.55727 (8) | 0.0647 (7) | |
C1 | 0.2841 (3) | 0.1972 (3) | 0.56636 (9) | 0.0554 (7) | |
C2 | 0.3354 (4) | 0.0839 (3) | 0.54741 (13) | 0.0850 (12) | |
H2A | 0.2853 | 0.0139 | 0.5558 | 0.102* | |
H2B | 0.3171 | 0.0910 | 0.5182 | 0.102* | |
C3 | 0.5310 (3) | −0.0076 (3) | 0.59067 (10) | 0.0648 (8) | |
C4 | 0.6783 (3) | −0.0040 (3) | 0.59003 (9) | 0.0558 (7) | |
C5 | 0.7057 (3) | 0.0656 (3) | 0.55672 (9) | 0.0564 (7) | |
C6 | 0.5762 (4) | 0.1058 (3) | 0.53521 (10) | 0.0643 (8) | |
C7 | 0.8352 (4) | 0.0854 (3) | 0.54899 (12) | 0.0765 (10) | |
H7 | 0.8544 | 0.1328 | 0.5270 | 0.092* | |
C8 | 0.9365 (4) | 0.0333 (4) | 0.57459 (14) | 0.0853 (11) | |
H8 | 1.0254 | 0.0459 | 0.5697 | 0.102* | |
C9 | 0.9101 (4) | −0.0366 (3) | 0.60701 (13) | 0.0808 (10) | |
H9 | 0.9808 | −0.0715 | 0.6236 | 0.097* | |
C10 | 0.7792 (4) | −0.0555 (3) | 0.61527 (11) | 0.0724 (9) | |
H10 | 0.7604 | −0.1021 | 0.6374 | 0.087* | |
C11 | 0.1308 (3) | 0.3205 (3) | 0.65139 (8) | 0.0525 (6) | |
H11A | 0.0739 | 0.3876 | 0.6584 | 0.063* | |
H11B | 0.0783 | 0.2713 | 0.6312 | 0.063* | |
C12 | 0.1635 (3) | 0.2408 (3) | 0.68935 (9) | 0.0564 (7) | |
C13 | 0.2434 (5) | 0.1291 (3) | 0.67799 (13) | 0.0885 (12) | |
H13A | 0.1932 | 0.0858 | 0.6562 | 0.133* | |
H13B | 0.2595 | 0.0759 | 0.7010 | 0.133* | |
H13C | 0.3278 | 0.1553 | 0.6696 | 0.133* | |
C14 | 0.0284 (4) | 0.1950 (4) | 0.70326 (11) | 0.0840 (11) | |
H14A | −0.0194 | 0.1477 | 0.6820 | 0.126* | |
H14B | −0.0252 | 0.2641 | 0.7094 | 0.126* | |
H14C | 0.0464 | 0.1448 | 0.7269 | 0.126* | |
C15 | 0.2366 (3) | 0.3151 (3) | 0.72387 (8) | 0.0591 (7) | |
C16 | 0.2025 (4) | 0.4345 (4) | 0.73092 (11) | 0.0836 (11) | |
H16 | 0.1325 | 0.4701 | 0.7143 | 0.100* | |
C17 | 0.2677 (5) | 0.5036 (5) | 0.76155 (14) | 0.1103 (16) | |
H17 | 0.2421 | 0.5846 | 0.7651 | 0.132* | |
C18 | 0.3684 (6) | 0.4545 (6) | 0.78644 (13) | 0.1179 (19) | |
H18 | 0.4137 | 0.5019 | 0.8068 | 0.141* | |
C19 | 0.4033 (5) | 0.3373 (6) | 0.78185 (14) | 0.1155 (19) | |
H19 | 0.4707 | 0.3027 | 0.7997 | 0.139* | |
C20 | 0.3391 (4) | 0.2660 (4) | 0.75025 (12) | 0.0885 (12) | |
H20 | 0.3657 | 0.1852 | 0.7470 | 0.106* | |
C21 | 0.2535 (3) | 0.5292 (3) | 0.57655 (9) | 0.0578 (7) | |
H21A | 0.3277 | 0.5868 | 0.5778 | 0.069* | |
H21B | 0.2509 | 0.4865 | 0.5509 | 0.069* | |
C22 | 0.1222 (3) | 0.6031 (3) | 0.57667 (9) | 0.0562 (7) | |
C23 | 0.1208 (4) | 0.7054 (4) | 0.54484 (11) | 0.0852 (11) | |
H23A | 0.1250 | 0.6697 | 0.5186 | 0.128* | |
H23B | 0.1969 | 0.7581 | 0.5512 | 0.128* | |
H23C | 0.0395 | 0.7522 | 0.5448 | 0.128* | |
C24 | 0.0023 (3) | 0.5190 (3) | 0.56510 (10) | 0.0752 (9) | |
H24A | 0.0101 | 0.4834 | 0.5390 | 0.113* | |
H24B | −0.0794 | 0.5657 | 0.5641 | 0.113* | |
H24C | 0.0007 | 0.4551 | 0.5849 | 0.113* | |
C25 | 0.1157 (3) | 0.6634 (2) | 0.61847 (8) | 0.0493 (6) | |
C26 | 0.0045 (3) | 0.6542 (3) | 0.63956 (10) | 0.0617 (8) | |
H26 | −0.0695 | 0.6088 | 0.6288 | 0.074* | |
C27 | 0.0018 (4) | 0.7123 (3) | 0.67686 (11) | 0.0801 (10) | |
H27 | −0.0734 | 0.7046 | 0.6909 | 0.096* | |
C28 | 0.1086 (5) | 0.7801 (3) | 0.69273 (12) | 0.0863 (11) | |
H28 | 0.1070 | 0.8189 | 0.7176 | 0.104* | |
C29 | 0.2175 (4) | 0.7905 (3) | 0.67194 (13) | 0.0859 (11) | |
H29 | 0.2903 | 0.8377 | 0.6826 | 0.103* | |
C30 | 0.2220 (3) | 0.7324 (3) | 0.63534 (11) | 0.0683 (9) | |
H30 | 0.2984 | 0.7400 | 0.6218 | 0.082* | |
C31 | 0.4688 (3) | 0.4447 (3) | 0.66583 (8) | 0.0553 (7) | |
H31A | 0.4622 | 0.5314 | 0.6719 | 0.066* | |
H31B | 0.4604 | 0.4007 | 0.6908 | 0.066* | |
C32 | 0.6120 (3) | 0.4214 (3) | 0.65427 (8) | 0.0517 (7) | |
C33 | 0.7144 (4) | 0.4821 (3) | 0.68626 (10) | 0.0745 (9) | |
H33A | 0.7068 | 0.4460 | 0.7123 | 0.112* | |
H33B | 0.6963 | 0.5684 | 0.6874 | 0.112* | |
H33C | 0.8038 | 0.4697 | 0.6790 | 0.112* | |
C34 | 0.6412 (3) | 0.2833 (3) | 0.65558 (10) | 0.0701 (9) | |
H34A | 0.6323 | 0.2525 | 0.6822 | 0.105* | |
H34B | 0.7311 | 0.2690 | 0.6490 | 0.105* | |
H34C | 0.5786 | 0.2419 | 0.6363 | 0.105* | |
C35 | 0.6244 (3) | 0.4784 (2) | 0.61264 (8) | 0.0474 (6) | |
C36 | 0.6122 (3) | 0.6036 (3) | 0.60671 (10) | 0.0621 (8) | |
H36 | 0.6017 | 0.6541 | 0.6287 | 0.075* | |
C37 | 0.6154 (3) | 0.6555 (3) | 0.56885 (11) | 0.0715 (9) | |
H37 | 0.6070 | 0.7400 | 0.5658 | 0.086* | |
C38 | 0.6307 (4) | 0.5841 (4) | 0.53613 (11) | 0.0736 (9) | |
H38 | 0.6325 | 0.6191 | 0.5107 | 0.088* | |
C39 | 0.6435 (4) | 0.4614 (4) | 0.54108 (10) | 0.0730 (9) | |
H39 | 0.6541 | 0.4119 | 0.5189 | 0.088* | |
C40 | 0.6409 (3) | 0.4090 (3) | 0.57878 (9) | 0.0588 (7) | |
H40 | 0.6505 | 0.3245 | 0.5815 | 0.071* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.04445 (12) | 0.04705 (11) | 0.04328 (11) | −0.00141 (8) | 0.00931 (7) | −0.00394 (7) |
O1 | 0.0539 (13) | 0.0792 (16) | 0.0839 (15) | 0.0058 (11) | −0.0018 (11) | −0.0222 (12) |
O2 | 0.0487 (11) | 0.0554 (11) | 0.0614 (12) | −0.0004 (9) | 0.0074 (9) | −0.0199 (9) |
O3 | 0.0855 (19) | 0.112 (2) | 0.105 (2) | −0.0200 (17) | 0.0341 (16) | 0.0026 (18) |
O4 | 0.119 (2) | 0.0815 (17) | 0.0715 (16) | 0.0213 (16) | −0.0050 (15) | 0.0037 (14) |
N1 | 0.0581 (16) | 0.0656 (16) | 0.0704 (17) | 0.0112 (13) | 0.0061 (13) | −0.0212 (13) |
C1 | 0.0508 (17) | 0.0569 (17) | 0.0590 (17) | −0.0011 (14) | 0.0085 (13) | −0.0113 (14) |
C2 | 0.062 (2) | 0.082 (2) | 0.107 (3) | 0.0109 (18) | −0.009 (2) | −0.046 (2) |
C3 | 0.067 (2) | 0.0595 (18) | 0.070 (2) | −0.0073 (16) | 0.0172 (17) | −0.0134 (16) |
C4 | 0.0611 (18) | 0.0458 (15) | 0.0617 (17) | −0.0019 (13) | 0.0120 (14) | −0.0094 (13) |
C5 | 0.067 (2) | 0.0452 (15) | 0.0578 (17) | 0.0025 (14) | 0.0110 (14) | −0.0079 (13) |
C6 | 0.082 (2) | 0.0517 (17) | 0.0582 (18) | 0.0123 (16) | 0.0043 (16) | −0.0168 (15) |
C7 | 0.082 (3) | 0.065 (2) | 0.086 (2) | −0.0049 (18) | 0.027 (2) | 0.0085 (18) |
C8 | 0.060 (2) | 0.075 (2) | 0.122 (3) | −0.0085 (19) | 0.016 (2) | −0.001 (2) |
C9 | 0.065 (2) | 0.072 (2) | 0.103 (3) | 0.0017 (18) | −0.005 (2) | 0.000 (2) |
C10 | 0.078 (2) | 0.063 (2) | 0.075 (2) | −0.0012 (18) | 0.0051 (18) | 0.0072 (17) |
C11 | 0.0493 (16) | 0.0599 (17) | 0.0495 (15) | −0.0067 (13) | 0.0100 (12) | −0.0029 (13) |
C12 | 0.0596 (18) | 0.0577 (17) | 0.0532 (16) | −0.0053 (14) | 0.0118 (13) | 0.0031 (13) |
C13 | 0.121 (4) | 0.055 (2) | 0.093 (3) | 0.011 (2) | 0.028 (2) | 0.0103 (18) |
C14 | 0.085 (3) | 0.098 (3) | 0.072 (2) | −0.037 (2) | 0.0200 (19) | 0.007 (2) |
C15 | 0.0567 (17) | 0.074 (2) | 0.0479 (15) | −0.0074 (15) | 0.0125 (13) | 0.0098 (14) |
C16 | 0.078 (3) | 0.097 (3) | 0.074 (2) | 0.014 (2) | 0.0027 (19) | −0.028 (2) |
C17 | 0.119 (4) | 0.125 (4) | 0.087 (3) | −0.003 (3) | 0.009 (3) | −0.046 (3) |
C18 | 0.133 (5) | 0.159 (5) | 0.059 (2) | −0.054 (4) | −0.002 (3) | −0.002 (3) |
C19 | 0.098 (3) | 0.152 (5) | 0.087 (3) | −0.036 (3) | −0.033 (3) | 0.051 (3) |
C20 | 0.087 (3) | 0.089 (3) | 0.085 (3) | −0.016 (2) | −0.011 (2) | 0.035 (2) |
C21 | 0.0642 (19) | 0.0605 (18) | 0.0517 (16) | 0.0007 (14) | 0.0197 (14) | 0.0051 (13) |
C22 | 0.0557 (17) | 0.0603 (17) | 0.0527 (16) | 0.0007 (14) | 0.0062 (13) | 0.0081 (13) |
C23 | 0.100 (3) | 0.085 (3) | 0.071 (2) | 0.017 (2) | 0.011 (2) | 0.0273 (19) |
C24 | 0.067 (2) | 0.087 (2) | 0.067 (2) | −0.0021 (18) | −0.0132 (16) | −0.0049 (18) |
C25 | 0.0433 (15) | 0.0446 (14) | 0.0603 (16) | 0.0011 (12) | 0.0068 (12) | 0.0120 (12) |
C26 | 0.0580 (18) | 0.0562 (17) | 0.073 (2) | −0.0060 (15) | 0.0148 (15) | 0.0063 (15) |
C27 | 0.096 (3) | 0.072 (2) | 0.078 (2) | 0.004 (2) | 0.038 (2) | 0.0071 (19) |
C28 | 0.120 (4) | 0.065 (2) | 0.073 (2) | 0.007 (2) | 0.004 (2) | −0.0095 (18) |
C29 | 0.078 (3) | 0.065 (2) | 0.109 (3) | −0.0051 (19) | −0.013 (2) | −0.020 (2) |
C30 | 0.0509 (18) | 0.0616 (19) | 0.092 (2) | −0.0011 (15) | 0.0060 (16) | −0.0090 (17) |
C31 | 0.0562 (17) | 0.0627 (17) | 0.0477 (15) | −0.0101 (14) | 0.0080 (12) | −0.0082 (13) |
C32 | 0.0497 (16) | 0.0520 (16) | 0.0523 (15) | −0.0069 (12) | 0.0007 (12) | −0.0038 (12) |
C33 | 0.068 (2) | 0.088 (2) | 0.064 (2) | −0.0167 (18) | −0.0072 (16) | −0.0076 (18) |
C34 | 0.069 (2) | 0.0574 (19) | 0.081 (2) | 0.0043 (16) | −0.0087 (17) | 0.0072 (16) |
C35 | 0.0359 (13) | 0.0509 (15) | 0.0554 (15) | −0.0046 (11) | 0.0043 (11) | −0.0069 (12) |
C36 | 0.064 (2) | 0.0546 (17) | 0.0689 (19) | 0.0004 (14) | 0.0110 (15) | −0.0093 (14) |
C37 | 0.067 (2) | 0.0589 (19) | 0.088 (2) | −0.0025 (16) | 0.0090 (18) | 0.0139 (18) |
C38 | 0.066 (2) | 0.090 (3) | 0.065 (2) | −0.0139 (18) | 0.0098 (16) | 0.0094 (18) |
C39 | 0.071 (2) | 0.090 (3) | 0.0608 (19) | −0.0111 (19) | 0.0185 (16) | −0.0139 (18) |
C40 | 0.0571 (18) | 0.0540 (17) | 0.0669 (19) | −0.0034 (13) | 0.0145 (14) | −0.0098 (14) |
Sn1—O2 | 2.0720 (18) | C20—H20 | 0.9300 |
Sn1—C11 | 2.150 (3) | C21—C22 | 1.542 (4) |
Sn1—C21 | 2.140 (3) | C21—H21A | 0.9700 |
Sn1—C31 | 2.158 (3) | C21—H21B | 0.9700 |
O1—C1 | 1.211 (3) | C22—C24 | 1.526 (4) |
O2—C1 | 1.293 (3) | C22—C23 | 1.536 (4) |
O3—C3 | 1.209 (4) | C22—C25 | 1.544 (4) |
O4—C6 | 1.208 (4) | C23—H23A | 0.9600 |
N1—C6 | 1.385 (5) | C23—H23B | 0.9600 |
N1—C3 | 1.391 (4) | C23—H23C | 0.9600 |
N1—C2 | 1.447 (4) | C24—H24A | 0.9600 |
C1—C2 | 1.502 (4) | C24—H24B | 0.9600 |
C2—H2A | 0.9700 | C24—H24C | 0.9600 |
C2—H2B | 0.9700 | C25—C30 | 1.373 (4) |
C3—C4 | 1.477 (4) | C25—C26 | 1.380 (4) |
C4—C10 | 1.363 (5) | C26—C27 | 1.395 (5) |
C4—C5 | 1.393 (4) | C26—H26 | 0.9300 |
C5—C7 | 1.365 (5) | C27—C28 | 1.359 (6) |
C5—C6 | 1.478 (5) | C27—H27 | 0.9300 |
C7—C8 | 1.375 (5) | C28—C29 | 1.355 (6) |
C7—H7 | 0.9300 | C28—H28 | 0.9300 |
C8—C9 | 1.368 (5) | C29—C30 | 1.376 (5) |
C8—H8 | 0.9300 | C29—H29 | 0.9300 |
C9—C10 | 1.382 (5) | C30—H30 | 0.9300 |
C9—H9 | 0.9300 | C31—C32 | 1.542 (4) |
C10—H10 | 0.9300 | C31—H31A | 0.9700 |
C11—C12 | 1.538 (4) | C31—H31B | 0.9700 |
C11—H11A | 0.9700 | C32—C34 | 1.533 (4) |
C11—H11B | 0.9700 | C32—C35 | 1.534 (4) |
C12—C15 | 1.526 (4) | C32—C33 | 1.545 (4) |
C12—C13 | 1.527 (5) | C33—H33A | 0.9600 |
C12—C14 | 1.557 (4) | C33—H33B | 0.9600 |
C13—H13A | 0.9600 | C33—H33C | 0.9600 |
C13—H13B | 0.9600 | C34—H34A | 0.9600 |
C13—H13C | 0.9600 | C34—H34B | 0.9600 |
C14—H14A | 0.9600 | C34—H34C | 0.9600 |
C14—H14B | 0.9600 | C35—C40 | 1.380 (4) |
C14—H14C | 0.9600 | C35—C36 | 1.383 (4) |
C15—C16 | 1.372 (5) | C36—C37 | 1.383 (5) |
C15—C20 | 1.384 (5) | C36—H36 | 0.9300 |
C16—C17 | 1.374 (5) | C37—C38 | 1.359 (5) |
C16—H16 | 0.9300 | C37—H37 | 0.9300 |
C17—C18 | 1.345 (7) | C38—C39 | 1.352 (5) |
C17—H17 | 0.9300 | C38—H38 | 0.9300 |
C18—C19 | 1.338 (8) | C39—C40 | 1.380 (5) |
C18—H18 | 0.9300 | C39—H39 | 0.9300 |
C19—C20 | 1.406 (6) | C40—H40 | 0.9300 |
C19—H19 | 0.9300 | ||
O2—Sn1—C11 | 102.83 (10) | C22—C21—Sn1 | 117.04 (19) |
O2—Sn1—C21 | 102.59 (10) | C22—C21—H21A | 108.0 |
O2—Sn1—C31 | 102.15 (10) | Sn1—C21—H21A | 108.0 |
C11—Sn1—C21 | 117.99 (11) | C22—C21—H21B | 108.0 |
C11—Sn1—C31 | 114.70 (11) | Sn1—C21—H21B | 108.0 |
C21—Sn1—C31 | 113.59 (12) | H21A—C21—H21B | 107.3 |
C1—O2—Sn1 | 116.93 (18) | C24—C22—C23 | 108.3 (3) |
C6—N1—C3 | 112.2 (3) | C24—C22—C21 | 109.4 (3) |
C6—N1—C2 | 123.6 (3) | C23—C22—C21 | 108.8 (3) |
C3—N1—C2 | 124.2 (3) | C24—C22—C25 | 112.1 (3) |
O1—C1—O2 | 125.3 (3) | C23—C22—C25 | 108.2 (3) |
O1—C1—C2 | 119.3 (3) | C21—C22—C25 | 110.0 (2) |
O2—C1—C2 | 115.4 (3) | C22—C23—H23A | 109.5 |
N1—C2—C1 | 115.1 (3) | C22—C23—H23B | 109.5 |
N1—C2—H2A | 108.5 | H23A—C23—H23B | 109.5 |
C1—C2—H2A | 108.5 | C22—C23—H23C | 109.5 |
N1—C2—H2B | 108.5 | H23A—C23—H23C | 109.5 |
C1—C2—H2B | 108.5 | H23B—C23—H23C | 109.5 |
H2A—C2—H2B | 107.5 | C22—C24—H24A | 109.5 |
O3—C3—N1 | 124.4 (3) | C22—C24—H24B | 109.5 |
O3—C3—C4 | 129.6 (3) | H24A—C24—H24B | 109.5 |
N1—C3—C4 | 105.9 (3) | C22—C24—H24C | 109.5 |
C10—C4—C5 | 121.3 (3) | H24A—C24—H24C | 109.5 |
C10—C4—C3 | 130.9 (3) | H24B—C24—H24C | 109.5 |
C5—C4—C3 | 107.8 (3) | C30—C25—C26 | 117.6 (3) |
C7—C5—C4 | 120.4 (3) | C30—C25—C22 | 119.7 (3) |
C7—C5—C6 | 131.5 (3) | C26—C25—C22 | 122.6 (3) |
C4—C5—C6 | 108.1 (3) | C25—C26—C27 | 120.7 (3) |
O4—C6—N1 | 124.9 (3) | C25—C26—H26 | 119.6 |
O4—C6—C5 | 129.2 (4) | C27—C26—H26 | 119.6 |
N1—C6—C5 | 105.9 (3) | C28—C27—C26 | 120.2 (4) |
C5—C7—C8 | 118.0 (3) | C28—C27—H27 | 119.9 |
C5—C7—H7 | 121.0 | C26—C27—H27 | 119.9 |
C8—C7—H7 | 121.0 | C29—C28—C27 | 119.3 (4) |
C9—C8—C7 | 121.8 (4) | C29—C28—H28 | 120.4 |
C9—C8—H8 | 119.1 | C27—C28—H28 | 120.4 |
C7—C8—H8 | 119.1 | C28—C29—C30 | 121.1 (4) |
C8—C9—C10 | 120.4 (4) | C28—C29—H29 | 119.5 |
C8—C9—H9 | 119.8 | C30—C29—H29 | 119.5 |
C10—C9—H9 | 119.8 | C25—C30—C29 | 121.1 (3) |
C4—C10—C9 | 118.1 (3) | C25—C30—H30 | 119.5 |
C4—C10—H10 | 121.0 | C29—C30—H30 | 119.5 |
C9—C10—H10 | 121.0 | C32—C31—Sn1 | 119.82 (18) |
C12—C11—Sn1 | 117.57 (19) | C32—C31—H31A | 107.4 |
C12—C11—H11A | 107.9 | Sn1—C31—H31A | 107.4 |
Sn1—C11—H11A | 107.9 | C32—C31—H31B | 107.4 |
C12—C11—H11B | 107.9 | Sn1—C31—H31B | 107.4 |
Sn1—C11—H11B | 107.9 | H31A—C31—H31B | 106.9 |
H11A—C11—H11B | 107.2 | C34—C32—C35 | 112.9 (2) |
C15—C12—C13 | 112.8 (3) | C34—C32—C31 | 109.5 (3) |
C15—C12—C11 | 111.1 (2) | C35—C32—C31 | 108.9 (2) |
C13—C12—C11 | 108.6 (3) | C34—C32—C33 | 106.9 (3) |
C15—C12—C14 | 108.0 (2) | C35—C32—C33 | 109.6 (2) |
C13—C12—C14 | 108.1 (3) | C31—C32—C33 | 108.8 (2) |
C11—C12—C14 | 108.0 (3) | C32—C33—H33A | 109.5 |
C12—C13—H13A | 109.5 | C32—C33—H33B | 109.5 |
C12—C13—H13B | 109.5 | H33A—C33—H33B | 109.5 |
H13A—C13—H13B | 109.5 | C32—C33—H33C | 109.5 |
C12—C13—H13C | 109.5 | H33A—C33—H33C | 109.5 |
H13A—C13—H13C | 109.5 | H33B—C33—H33C | 109.5 |
H13B—C13—H13C | 109.5 | C32—C34—H34A | 109.5 |
C12—C14—H14A | 109.5 | C32—C34—H34B | 109.5 |
C12—C14—H14B | 109.5 | H34A—C34—H34B | 109.5 |
H14A—C14—H14B | 109.5 | C32—C34—H34C | 109.5 |
C12—C14—H14C | 109.5 | H34A—C34—H34C | 109.5 |
H14A—C14—H14C | 109.5 | H34B—C34—H34C | 109.5 |
H14B—C14—H14C | 109.5 | C40—C35—C36 | 116.2 (3) |
C16—C15—C20 | 116.1 (3) | C40—C35—C32 | 122.8 (3) |
C16—C15—C12 | 121.6 (3) | C36—C35—C32 | 121.0 (3) |
C20—C15—C12 | 122.3 (3) | C35—C36—C37 | 121.6 (3) |
C15—C16—C17 | 122.7 (4) | C35—C36—H36 | 119.2 |
C15—C16—H16 | 118.7 | C37—C36—H36 | 119.2 |
C17—C16—H16 | 118.7 | C38—C37—C36 | 120.6 (3) |
C18—C17—C16 | 120.2 (5) | C38—C37—H37 | 119.7 |
C18—C17—H17 | 119.9 | C36—C37—H37 | 119.7 |
C16—C17—H17 | 119.9 | C39—C38—C37 | 119.1 (3) |
C19—C18—C17 | 119.8 (5) | C39—C38—H38 | 120.4 |
C19—C18—H18 | 120.1 | C37—C38—H38 | 120.4 |
C17—C18—H18 | 120.1 | C38—C39—C40 | 120.6 (3) |
C18—C19—C20 | 120.6 (4) | C38—C39—H39 | 119.7 |
C18—C19—H19 | 119.7 | C40—C39—H39 | 119.7 |
C20—C19—H19 | 119.7 | C39—C40—C35 | 121.9 (3) |
C15—C20—C19 | 120.6 (4) | C39—C40—H40 | 119.0 |
C15—C20—H20 | 119.7 | C35—C40—H40 | 119.0 |
C19—C20—H20 | 119.7 | ||
C21—Sn1—O2—C1 | −63.9 (2) | C20—C15—C16—C17 | 1.7 (6) |
C11—Sn1—O2—C1 | 59.1 (2) | C12—C15—C16—C17 | −179.4 (4) |
C31—Sn1—O2—C1 | 178.2 (2) | C15—C16—C17—C18 | −0.8 (7) |
Sn1—O2—C1—O1 | 2.5 (4) | C16—C17—C18—C19 | −1.4 (8) |
Sn1—O2—C1—C2 | −175.2 (3) | C17—C18—C19—C20 | 2.4 (8) |
C6—N1—C2—C1 | −88.9 (4) | C16—C15—C20—C19 | −0.6 (5) |
C3—N1—C2—C1 | 88.7 (4) | C12—C15—C20—C19 | −179.6 (3) |
O1—C1—C2—N1 | 172.7 (3) | C18—C19—C20—C15 | −1.4 (7) |
O2—C1—C2—N1 | −9.5 (5) | O2—Sn1—C21—C22 | 138.0 (2) |
C6—N1—C3—O3 | −179.4 (3) | C11—Sn1—C21—C22 | 25.9 (3) |
C2—N1—C3—O3 | 2.9 (5) | C31—Sn1—C21—C22 | −112.5 (2) |
C6—N1—C3—C4 | 0.4 (3) | Sn1—C21—C22—C24 | −70.8 (3) |
C2—N1—C3—C4 | −177.4 (3) | Sn1—C21—C22—C23 | 171.1 (2) |
O3—C3—C4—C10 | 0.4 (6) | Sn1—C21—C22—C25 | 52.7 (3) |
N1—C3—C4—C10 | −179.3 (3) | C24—C22—C25—C30 | 173.7 (3) |
O3—C3—C4—C5 | −179.9 (3) | C23—C22—C25—C30 | −67.1 (4) |
N1—C3—C4—C5 | 0.4 (3) | C21—C22—C25—C30 | 51.7 (3) |
C10—C4—C5—C7 | −1.0 (5) | C24—C22—C25—C26 | −8.4 (4) |
C3—C4—C5—C7 | 179.3 (3) | C23—C22—C25—C26 | 110.9 (3) |
C10—C4—C5—C6 | 178.8 (3) | C21—C22—C25—C26 | −130.3 (3) |
C3—C4—C5—C6 | −0.9 (3) | C30—C25—C26—C27 | −0.7 (5) |
C3—N1—C6—O4 | 178.0 (3) | C22—C25—C26—C27 | −178.6 (3) |
C2—N1—C6—O4 | −4.2 (5) | C25—C26—C27—C28 | 0.8 (5) |
C3—N1—C6—C5 | −0.9 (3) | C26—C27—C28—C29 | 0.0 (6) |
C2—N1—C6—C5 | 176.9 (3) | C27—C28—C29—C30 | −0.8 (6) |
C7—C5—C6—O4 | 2.1 (6) | C26—C25—C30—C29 | −0.2 (5) |
C4—C5—C6—O4 | −177.7 (3) | C22—C25—C30—C29 | 177.9 (3) |
C7—C5—C6—N1 | −179.1 (3) | C28—C29—C30—C25 | 0.9 (6) |
C4—C5—C6—N1 | 1.1 (3) | O2—Sn1—C31—C32 | 30.6 (2) |
C4—C5—C7—C8 | 0.9 (5) | C21—Sn1—C31—C32 | −79.1 (3) |
C6—C5—C7—C8 | −178.9 (3) | C11—Sn1—C31—C32 | 141.1 (2) |
C5—C7—C8—C9 | 0.0 (6) | Sn1—C31—C32—C34 | −72.5 (3) |
C7—C8—C9—C10 | −0.9 (6) | Sn1—C31—C32—C35 | 51.4 (3) |
C5—C4—C10—C9 | 0.2 (5) | Sn1—C31—C32—C33 | 170.9 (2) |
C3—C4—C10—C9 | 179.8 (3) | C34—C32—C35—C40 | 8.8 (4) |
C8—C9—C10—C4 | 0.8 (6) | C31—C32—C35—C40 | −113.1 (3) |
O2—Sn1—C11—C12 | 76.8 (2) | C33—C32—C35—C40 | 127.9 (3) |
C21—Sn1—C11—C12 | −171.3 (2) | C34—C32—C35—C36 | −174.7 (3) |
C31—Sn1—C11—C12 | −33.2 (3) | C31—C32—C35—C36 | 63.3 (3) |
Sn1—C11—C12—C15 | 62.3 (3) | C33—C32—C35—C36 | −55.6 (4) |
Sn1—C11—C12—C13 | −62.4 (3) | C40—C35—C36—C37 | 0.5 (5) |
Sn1—C11—C12—C14 | −179.4 (2) | C32—C35—C36—C37 | −176.2 (3) |
C13—C12—C15—C16 | 161.0 (3) | C35—C36—C37—C38 | 0.0 (5) |
C11—C12—C15—C16 | 38.8 (4) | C36—C37—C38—C39 | −0.3 (5) |
C14—C12—C15—C16 | −79.6 (4) | C37—C38—C39—C40 | 0.1 (6) |
C13—C12—C15—C20 | −20.1 (4) | C38—C39—C40—C35 | 0.5 (5) |
C11—C12—C15—C20 | −142.4 (3) | C36—C35—C40—C39 | −0.7 (4) |
C14—C12—C15—C20 | 99.3 (4) | C32—C35—C40—C39 | 175.9 (3) |