metal-organic compounds
Bis(N-benzyl-N-isopropyldithiocarbamato-κS)di-n-butyltin(IV)
aSchool of Chemical Sciences and Food Technology, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor Darul Ehsan, Malaysia, and bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
*Correspondence e-mail: seikweng@um.edu.my
The Sn atom in the title compound, [Sn(C4H9)2(C11H14NS2)2], exists in a tetrahedral C2S2Sn coordination geometry. The geometry is distorted towards skew-trapezoidal-bipyramidal owing to the proximity of the double-bonded S atoms. The C2Sn angles range from 129.0 (2) to 136.9 (2)°, the covalent Sn—S lengths from 2.529 (1) to 2.544 (1) Å, and the dative Sn←S lengths from 2.831 (1) to 3.042 (1) Å in the five independent molecules comprising the Two of the butyl groups were modelled over two positions of equal occupancy. All butyl groups were refined with distance restraints.
Related literature
For other di-n-butyltin dithiocarbamates, see: Farina et al. (2000); Lokaj et al. (1986); Menezes et al. (2005); Vrábel et al. (1992a,b); Vrábel & Kellö (1993); Zia-ur-Rehman et al. (2006). For a review of the applications and structures of tin dithiocarbamates, see: Tiekink (2008).
Experimental
Crystal data
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Data collection: APEX2 (Bruker, 2008); cell SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2009).
Supporting information
10.1107/S1600536809015116/tk2429sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536809015116/tk2429Isup2.hkl
Carbon disulfide (4 ml, 0.06 mol) was added to benzylisopropylamine (8 ml, 0.06 mol) in ethanol (50 ml) at 277 K. Dibutyltin dichloride (9.1 g, 0.03 mol) dissolved in ethanol (50 ml) was added. The white solid that precipitated was collected and recrystallized from an ethanol-chloroform mixture.
Somewhat tight distances restraints (1,2-related carbon-carbon distances were restrained to 1.540±0.005 Å and 1,3-related ones to 2.510±0.010 Å) were imposed on all butyl chains. Two of the chains are disordered over two positions; for these, the temperature factors of the primed atoms were restrained to those of the unprimed ones; their anisotropic displacement parameters were restrained to be nearly isotropic. The occupancy was arbitrarily fixed as 50:50.
Carbon-bound H-atoms were placed in calculated positions (C—H 0.95 to 0.99 Å) and were included in the
in the riding model approximation, with U(H) set to 1.2 to 1.5U(C). The final difference Fourier map had a large peak/deep hole in the vicinity of the Sn3 atom.Data collection: APEX2 (Bruker, 2008); cell
SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2009).[Sn(C4H9)2(C11H14NS2)2] | Z = 10 |
Mr = 681.62 | F(000) = 3540 |
Triclinic, P1 | Dx = 1.380 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 17.7745 (2) Å | Cell parameters from 9858 reflections |
b = 19.5463 (3) Å | θ = 2.2–28.3° |
c = 26.2062 (4) Å | µ = 1.06 mm−1 |
α = 102.5254 (7)° | T = 123 K |
β = 95.1492 (7)° | Block, colorless |
γ = 110.2569 (8)° | 0.30 × 0.30 × 0.10 mm |
V = 8202.1 (2) Å3 |
Bruker SMART APEX diffractometer | 36923 independent reflections |
Radiation source: fine-focus sealed tube | 23409 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.028 |
ω scans | θmax = 27.5°, θmin = 0.8° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −23→23 |
Tmin = 0.743, Tmax = 0.902 | k = −24→25 |
67722 measured reflections | l = −32→34 |
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)] = 0.046 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.139 | H-atom parameters constrained |
S = 1.15 | w = 1/[σ2(Fo2) + (0.05P)2 + 5P] where P = (Fo2 + 2Fc2)/3 |
36923 reflections | (Δ/σ)max = 0.001 |
1684 parameters | Δρmax = 2.53 e Å−3 |
96 restraints | Δρmin = −1.45 e Å−3 |
[Sn(C4H9)2(C11H14NS2)2] | γ = 110.2569 (8)° |
Mr = 681.62 | V = 8202.1 (2) Å3 |
Triclinic, P1 | Z = 10 |
a = 17.7745 (2) Å | Mo Kα radiation |
b = 19.5463 (3) Å | µ = 1.06 mm−1 |
c = 26.2062 (4) Å | T = 123 K |
α = 102.5254 (7)° | 0.30 × 0.30 × 0.10 mm |
β = 95.1492 (7)° |
Bruker SMART APEX diffractometer | 36923 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 23409 reflections with I > 2σ(I) |
Tmin = 0.743, Tmax = 0.902 | Rint = 0.028 |
67722 measured reflections |
R[F2 > 2σ(F2)] = 0.046 | 96 restraints |
wR(F2) = 0.139 | H-atom parameters constrained |
S = 1.15 | Δρmax = 2.53 e Å−3 |
36923 reflections | Δρmin = −1.45 e Å−3 |
1684 parameters |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Sn1 | 0.232256 (17) | 0.439810 (18) | 1.019238 (11) | 0.02370 (8) | |
Sn2 | 0.175644 (17) | 0.150825 (18) | 0.783916 (12) | 0.02621 (8) | |
Sn3 | 0.639428 (17) | 0.036822 (17) | 0.818119 (11) | 0.02389 (8) | |
Sn4 | 0.571833 (17) | −0.249780 (17) | 0.598326 (12) | 0.02604 (8) | |
Sn5 | 0.031055 (17) | −0.358358 (17) | 0.608830 (11) | 0.02252 (8) | |
S1 | 0.12379 (6) | 0.47805 (6) | 0.97841 (4) | 0.0258 (2) | |
S2 | 0.13011 (6) | 0.33223 (7) | 0.92277 (4) | 0.0275 (3) | |
S3 | 0.26314 (6) | 0.56663 (6) | 1.08468 (4) | 0.0231 (2) | |
S4 | 0.36647 (6) | 0.48533 (6) | 1.11426 (4) | 0.0258 (2) | |
S5 | 0.28552 (7) | 0.11337 (6) | 0.82395 (4) | 0.0282 (3) | |
S6 | 0.27648 (6) | 0.25794 (6) | 0.88035 (4) | 0.0264 (3) | |
S7 | 0.14437 (6) | 0.02626 (6) | 0.71619 (4) | 0.0263 (2) | |
S8 | 0.04118 (7) | 0.10898 (7) | 0.68910 (5) | 0.0308 (3) | |
S9 | 0.52819 (7) | 0.07056 (7) | 0.77536 (4) | 0.0284 (3) | |
S10 | 0.54200 (6) | −0.07283 (7) | 0.72210 (4) | 0.0273 (3) | |
S11 | 0.66700 (7) | 0.16165 (6) | 0.88444 (4) | 0.0272 (2) | |
S12 | 0.77308 (7) | 0.08198 (7) | 0.91306 (5) | 0.0329 (3) | |
S13 | 0.68694 (6) | −0.28802 (6) | 0.63039 (4) | 0.0242 (2) | |
S14 | 0.68046 (7) | −0.14425 (6) | 0.69001 (4) | 0.0264 (2) | |
S15 | 0.53479 (7) | −0.37098 (7) | 0.52521 (4) | 0.0308 (3) | |
S16 | 0.42879 (7) | −0.28494 (8) | 0.51283 (6) | 0.0480 (4) | |
S17 | −0.08574 (6) | −0.32517 (6) | 0.57251 (4) | 0.0233 (2) | |
S18 | −0.06705 (6) | −0.46318 (6) | 0.51304 (4) | 0.0232 (2) | |
S19 | 0.05551 (7) | −0.24046 (7) | 0.68313 (4) | 0.0293 (3) | |
S20 | 0.17120 (6) | −0.31553 (7) | 0.69985 (4) | 0.0278 (3) | |
N1 | 0.0105 (2) | 0.3789 (2) | 0.89688 (13) | 0.0221 (8) | |
N2 | 0.37929 (19) | 0.6216 (2) | 1.17057 (13) | 0.0219 (8) | |
N3 | 0.39919 (19) | 0.21452 (19) | 0.90461 (13) | 0.0210 (8) | |
N4 | 0.01806 (19) | −0.0318 (2) | 0.63640 (13) | 0.0236 (8) | |
N5 | 0.4276 (2) | −0.0265 (2) | 0.68725 (14) | 0.0280 (8) | |
N6 | 0.7859 (2) | 0.2184 (2) | 0.96880 (13) | 0.0261 (8) | |
N7 | 0.8023 (2) | −0.19025 (19) | 0.71167 (14) | 0.0249 (8) | |
N8 | 0.4064 (2) | −0.4179 (2) | 0.44738 (14) | 0.0302 (9) | |
N9 | −0.18603 (19) | −0.4187 (2) | 0.48321 (13) | 0.0222 (8) | |
N10 | 0.1859 (2) | −0.1811 (2) | 0.76023 (14) | 0.0270 (8) | |
C1 | 0.1753 (3) | 0.3562 (2) | 1.0593 (2) | 0.0382 (12) | |
H1A | 0.1903 | 0.3770 | 1.0983 | 0.046* | 0.50 |
H1B | 0.1152 | 0.3358 | 1.0488 | 0.046* | 0.50 |
H1C | 0.1733 | 0.3851 | 1.0948 | 0.046* | 0.50 |
H1D | 0.1181 | 0.3308 | 1.0403 | 0.046* | 0.50 |
C2 | 0.2103 (5) | 0.2953 (4) | 1.0399 (3) | 0.0259 (14) | 0.50 |
H2A | 0.2007 | 0.2808 | 1.0005 | 0.031* | 0.50 |
H2B | 0.2699 | 0.3166 | 1.0528 | 0.031* | 0.50 |
C3 | 0.1721 (5) | 0.2261 (4) | 1.0591 (4) | 0.0349 (16) | 0.50 |
H3A | 0.1832 | 0.2414 | 1.0984 | 0.042* | 0.50 |
H3B | 0.1123 | 0.2071 | 1.0474 | 0.042* | 0.50 |
C4 | 0.2001 (10) | 0.1625 (6) | 1.0405 (5) | 0.040 (2) | 0.50 |
H4A | 0.1526 | 0.1152 | 1.0264 | 0.060* | 0.50 |
H4B | 0.2337 | 0.1581 | 1.0705 | 0.060* | 0.50 |
H4C | 0.2323 | 0.1726 | 1.0126 | 0.060* | 0.50 |
C2' | 0.2005 (5) | 0.2940 (4) | 1.0690 (3) | 0.0259 (14) | 0.50 |
H2C | 0.1718 | 0.2727 | 1.0961 | 0.031* | 0.50 |
H2D | 0.2598 | 0.3141 | 1.0826 | 0.031* | 0.50 |
C3' | 0.1797 (6) | 0.2330 (4) | 1.0179 (3) | 0.0349 (16) | 0.50 |
H3C | 0.1210 | 0.2168 | 1.0033 | 0.042* | 0.50 |
H3D | 0.2110 | 0.2546 | 0.9920 | 0.042* | 0.50 |
C4' | 0.1967 (10) | 0.1647 (6) | 1.0232 (5) | 0.040 (2) | 0.50 |
H4D | 0.1451 | 0.1216 | 1.0177 | 0.060* | 0.50 |
H4E | 0.2272 | 0.1750 | 1.0589 | 0.060* | 0.50 |
H4F | 0.2289 | 0.1529 | 0.9967 | 0.060* | 0.50 |
C5 | 0.3345 (2) | 0.4515 (3) | 0.97928 (15) | 0.0312 (11) | |
H5A | 0.3842 | 0.4860 | 1.0053 | 0.037* | |
H5B | 0.3390 | 0.4014 | 0.9695 | 0.037* | |
C6 | 0.3358 (3) | 0.4798 (3) | 0.93039 (17) | 0.0459 (14) | |
H6A | 0.2874 | 0.4452 | 0.9033 | 0.055* | |
H6B | 0.3322 | 0.5303 | 0.9394 | 0.055* | |
C7 | 0.4112 (3) | 0.4854 (3) | 0.90716 (17) | 0.0412 (13) | |
H7A | 0.4591 | 0.5182 | 0.9352 | 0.049* | |
H7B | 0.4135 | 0.4344 | 0.8979 | 0.049* | |
C8 | 0.4201 (4) | 0.5152 (5) | 0.8592 (2) | 0.087 (3) | |
H8A | 0.4711 | 0.5155 | 0.8477 | 0.130* | |
H8B | 0.4208 | 0.5668 | 0.8679 | 0.130* | |
H8C | 0.3741 | 0.4827 | 0.8305 | 0.130* | |
C9 | 0.0811 (2) | 0.3927 (2) | 0.92808 (15) | 0.0176 (8) | |
C10 | −0.0271 (2) | 0.4356 (3) | 0.90241 (18) | 0.0285 (10) | |
H10A | −0.0161 | 0.4631 | 0.9404 | 0.034* | |
H10B | −0.0869 | 0.4089 | 0.8915 | 0.034* | |
C11 | 0.0017 (3) | 0.4929 (2) | 0.87057 (16) | 0.0269 (10) | |
C12 | −0.0439 (3) | 0.5376 (3) | 0.8654 (2) | 0.0406 (13) | |
H12 | −0.0907 | 0.5313 | 0.8816 | 0.049* | |
C13 | −0.0212 (3) | 0.5907 (3) | 0.8369 (2) | 0.0503 (15) | |
H13 | −0.0527 | 0.6205 | 0.8334 | 0.060* | |
C14 | 0.0469 (4) | 0.6011 (3) | 0.8135 (2) | 0.0497 (15) | |
H14 | 0.0620 | 0.6378 | 0.7938 | 0.060* | |
C15 | 0.0928 (3) | 0.5582 (3) | 0.81852 (19) | 0.0425 (13) | |
H15 | 0.1396 | 0.5651 | 0.8023 | 0.051* | |
C16 | 0.0706 (3) | 0.5046 (3) | 0.84753 (18) | 0.0321 (11) | |
H16 | 0.1032 | 0.4758 | 0.8515 | 0.038* | |
C17 | −0.0297 (3) | 0.3055 (3) | 0.85548 (17) | 0.0295 (10) | |
H17 | −0.0103 | 0.2679 | 0.8670 | 0.035* | |
C18 | −0.1227 (3) | 0.2748 (3) | 0.84989 (19) | 0.0400 (12) | |
H18A | −0.1376 | 0.2716 | 0.8846 | 0.060* | |
H18B | −0.1459 | 0.2244 | 0.8249 | 0.060* | |
H18C | −0.1440 | 0.3089 | 0.8366 | 0.060* | |
C19 | −0.0048 (3) | 0.3113 (3) | 0.80264 (18) | 0.0421 (13) | |
H19A | 0.0548 | 0.3305 | 0.8070 | 0.063* | |
H19B | −0.0251 | 0.3460 | 0.7893 | 0.063* | |
H19C | −0.0279 | 0.2612 | 0.7772 | 0.063* | |
C20 | 0.3412 (2) | 0.5626 (2) | 1.12744 (15) | 0.0180 (8) | |
C21 | 0.3577 (2) | 0.6888 (2) | 1.18152 (16) | 0.0224 (9) | |
H21A | 0.3319 | 0.6927 | 1.1477 | 0.027* | |
H21B | 0.4083 | 0.7343 | 1.1954 | 0.027* | |
C22 | 0.3001 (2) | 0.6880 (2) | 1.22118 (15) | 0.0202 (9) | |
C23 | 0.2312 (2) | 0.6243 (2) | 1.21723 (16) | 0.0231 (9) | |
H23 | 0.2196 | 0.5799 | 1.1894 | 0.028* | |
C24 | 0.1792 (3) | 0.6250 (3) | 1.25352 (17) | 0.0290 (10) | |
H24 | 0.1320 | 0.5812 | 1.2504 | 0.035* | |
C25 | 0.1961 (3) | 0.6892 (3) | 1.29407 (18) | 0.0360 (12) | |
H25 | 0.1600 | 0.6902 | 1.3186 | 0.043* | |
C26 | 0.2656 (3) | 0.7521 (3) | 1.29898 (18) | 0.0385 (12) | |
H26 | 0.2782 | 0.7958 | 1.3277 | 0.046* | |
C27 | 0.3167 (3) | 0.7520 (3) | 1.26246 (17) | 0.0291 (10) | |
H27 | 0.3636 | 0.7960 | 1.2656 | 0.035* | |
C28 | 0.4493 (2) | 0.6239 (3) | 1.20749 (16) | 0.0278 (10) | |
H28 | 0.4458 | 0.5706 | 1.2023 | 0.033* | |
C29 | 0.4449 (3) | 0.6526 (4) | 1.26458 (18) | 0.0579 (18) | |
H29A | 0.3918 | 0.6230 | 1.2717 | 0.087* | |
H29B | 0.4515 | 0.7059 | 1.2718 | 0.087* | |
H29C | 0.4884 | 0.6478 | 1.2875 | 0.087* | |
C30 | 0.5282 (3) | 0.6670 (4) | 1.1931 (2) | 0.0596 (18) | |
H30A | 0.5282 | 0.6454 | 1.1556 | 0.089* | |
H30B | 0.5734 | 0.6639 | 1.2155 | 0.089* | |
H30C | 0.5346 | 0.7201 | 1.1986 | 0.089* | |
C31 | 0.0746 (3) | 0.1377 (3) | 0.82472 (16) | 0.0340 (11) | |
H31A | 0.0739 | 0.1886 | 0.8393 | 0.041* | |
H31B | 0.0240 | 0.1085 | 0.7981 | 0.041* | |
C32 | 0.0708 (2) | 0.0998 (3) | 0.86955 (16) | 0.0379 (12) | |
H32A | 0.1212 | 0.1274 | 0.8966 | 0.046* | |
H32B | 0.0674 | 0.0473 | 0.8555 | 0.046* | |
C33 | −0.0026 (3) | 0.0986 (3) | 0.89513 (19) | 0.0471 (14) | |
H33A | 0.0036 | 0.1514 | 0.9113 | 0.056* | |
H33B | −0.0519 | 0.0756 | 0.8670 | 0.056* | |
C34 | −0.0157 (3) | 0.0561 (3) | 0.9371 (2) | 0.0588 (17) | |
H34A | −0.0641 | 0.0582 | 0.9515 | 0.088* | |
H34B | 0.0321 | 0.0792 | 0.9657 | 0.088* | |
H34C | −0.0236 | 0.0033 | 0.9213 | 0.088* | |
C35 | 0.2309 (3) | 0.2365 (2) | 0.74597 (19) | 0.0369 (12) | |
H35A | 0.2908 | 0.2578 | 0.7579 | 0.044* | |
H35B | 0.2192 | 0.2148 | 0.7070 | 0.044* | |
C36 | 0.1971 (3) | 0.2984 (3) | 0.7601 (2) | 0.0528 (15) | |
H36A | 0.1373 | 0.2761 | 0.7474 | 0.063* | |
H36B | 0.2067 | 0.3174 | 0.7993 | 0.063* | |
C37 | 0.2324 (4) | 0.3634 (3) | 0.7376 (3) | 0.075 (2) | |
H37A | 0.2156 | 0.3461 | 0.6984 | 0.090* | |
H37B | 0.2926 | 0.3813 | 0.7457 | 0.090* | |
C38 | 0.2067 (4) | 0.4285 (3) | 0.7587 (3) | 0.0600 (17) | |
H38A | 0.2328 | 0.4700 | 0.7430 | 0.090* | |
H38B | 0.2234 | 0.4461 | 0.7975 | 0.090* | |
H38C | 0.1474 | 0.4118 | 0.7494 | 0.090* | |
C39 | 0.3278 (2) | 0.1983 (2) | 0.87374 (15) | 0.0169 (8) | |
C40 | 0.4393 (2) | 0.1594 (3) | 0.89916 (18) | 0.0277 (10) | |
H40A | 0.4984 | 0.1872 | 0.9131 | 0.033* | |
H40B | 0.4330 | 0.1352 | 0.8609 | 0.033* | |
C41 | 0.4080 (2) | 0.0982 (2) | 0.92699 (16) | 0.0242 (10) | |
C42 | 0.4479 (3) | 0.0478 (3) | 0.92573 (19) | 0.0355 (12) | |
H42 | 0.4931 | 0.0533 | 0.9080 | 0.043* | |
C43 | 0.4217 (3) | −0.0101 (3) | 0.9501 (2) | 0.0491 (15) | |
H43 | 0.4482 | −0.0450 | 0.9482 | 0.059* | |
C44 | 0.3580 (3) | −0.0180 (3) | 0.9770 (2) | 0.0463 (14) | |
H44 | 0.3414 | −0.0573 | 0.9944 | 0.056* | |
C45 | 0.3180 (3) | 0.0312 (3) | 0.9789 (2) | 0.0426 (13) | |
H45 | 0.2735 | 0.0257 | 0.9973 | 0.051* | |
C46 | 0.3430 (3) | 0.0892 (3) | 0.95364 (19) | 0.0340 (11) | |
H46 | 0.3150 | 0.1229 | 0.9548 | 0.041* | |
C47 | 0.4395 (2) | 0.2887 (2) | 0.94499 (16) | 0.0256 (10) | |
H47 | 0.4174 | 0.3247 | 0.9336 | 0.031* | |
C48 | 0.4180 (3) | 0.2841 (3) | 0.99917 (18) | 0.0395 (12) | |
H48A | 0.3586 | 0.2632 | 0.9961 | 0.059* | |
H48B | 0.4404 | 0.3348 | 1.0238 | 0.059* | |
H48C | 0.4412 | 0.2512 | 1.0126 | 0.059* | |
C49 | 0.5320 (2) | 0.3218 (3) | 0.94771 (18) | 0.0326 (11) | |
H49A | 0.5438 | 0.3239 | 0.9121 | 0.049* | |
H49B | 0.5564 | 0.2896 | 0.9610 | 0.049* | |
H49C | 0.5549 | 0.3729 | 0.9718 | 0.049* | |
C50 | 0.0624 (2) | 0.0298 (2) | 0.67701 (16) | 0.0203 (9) | |
C51 | 0.0444 (2) | −0.0955 (2) | 0.62089 (16) | 0.0241 (9) | |
H51A | −0.0041 | −0.1433 | 0.6106 | 0.029* | |
H51B | 0.0794 | −0.0968 | 0.6520 | 0.029* | |
C52 | 0.0911 (2) | −0.0914 (2) | 0.57531 (16) | 0.0233 (9) | |
C53 | 0.1626 (3) | −0.0300 (3) | 0.57913 (18) | 0.0302 (10) | |
H53 | 0.1822 | 0.0105 | 0.6106 | 0.036* | |
C54 | 0.2052 (3) | −0.0270 (3) | 0.53796 (19) | 0.0346 (11) | |
H54 | 0.2541 | 0.0151 | 0.5411 | 0.041* | |
C55 | 0.1766 (3) | −0.0858 (3) | 0.4917 (2) | 0.0419 (13) | |
H55 | 0.2062 | −0.0843 | 0.4632 | 0.050* | |
C56 | 0.1053 (3) | −0.1461 (3) | 0.4872 (2) | 0.0458 (14) | |
H56 | 0.0853 | −0.1857 | 0.4552 | 0.055* | |
C57 | 0.0623 (3) | −0.1499 (3) | 0.52883 (18) | 0.0361 (12) | |
H57 | 0.0135 | −0.1921 | 0.5256 | 0.043* | |
C58 | −0.0575 (2) | −0.0350 (3) | 0.60476 (18) | 0.0344 (12) | |
H58 | −0.0766 | 0.0019 | 0.6271 | 0.041* | |
C59 | −0.0408 (3) | −0.0100 (3) | 0.5559 (2) | 0.0471 (14) | |
H59A | 0.0028 | 0.0403 | 0.5654 | 0.071* | |
H59B | −0.0903 | −0.0078 | 0.5378 | 0.071* | |
H59C | −0.0240 | −0.0460 | 0.5321 | 0.071* | |
C60 | −0.1255 (3) | −0.1117 (3) | 0.5922 (2) | 0.0563 (17) | |
H60A | −0.1738 | −0.1109 | 0.5715 | 0.084* | |
H60B | −0.1388 | −0.1241 | 0.6254 | 0.084* | |
H60C | −0.1081 | −0.1499 | 0.5716 | 0.084* | |
C61 | 0.5850 (2) | −0.0514 (2) | 0.85512 (17) | 0.0279 (10) | |
H61A | 0.5931 | −0.0296 | 0.8939 | 0.033* | |
H61B | 0.5257 | −0.0753 | 0.8412 | 0.033* | |
C62 | 0.6226 (2) | −0.1104 (2) | 0.84437 (17) | 0.0301 (10) | |
H62A | 0.6172 | −0.1295 | 0.8055 | 0.036* | |
H62B | 0.6815 | −0.0862 | 0.8596 | 0.036* | |
C63 | 0.5850 (3) | −0.1763 (2) | 0.8668 (2) | 0.0445 (13) | |
H63A | 0.5252 | −0.1968 | 0.8549 | 0.053* | |
H63B | 0.5961 | −0.1581 | 0.9061 | 0.053* | |
C64 | 0.6158 (3) | −0.2392 (3) | 0.8509 (2) | 0.0492 (14) | |
H64A | 0.5889 | −0.2800 | 0.8669 | 0.074* | |
H64B | 0.6749 | −0.2198 | 0.8632 | 0.074* | |
H64C | 0.6037 | −0.2587 | 0.8121 | 0.074* | |
C65 | 0.7446 (3) | 0.0529 (3) | 0.78004 (16) | 0.0375 (12) | |
H65A | 0.7915 | 0.0941 | 0.8050 | 0.045* | |
H65B | 0.7564 | 0.0063 | 0.7754 | 0.045* | |
C66 | 0.7418 (3) | 0.0712 (3) | 0.72747 (18) | 0.0474 (14) | |
H66A | 0.7298 | 0.1177 | 0.7311 | 0.057* | |
H66B | 0.6970 | 0.0294 | 0.7013 | 0.057* | |
C67 | 0.8207 (3) | 0.0827 (3) | 0.70708 (19) | 0.0529 (15) | |
H67A | 0.8645 | 0.1268 | 0.7322 | 0.063* | |
H67B | 0.8346 | 0.0378 | 0.7066 | 0.063* | |
C68 | 0.8193 (4) | 0.0954 (5) | 0.6528 (2) | 0.084 (2) | |
H68A | 0.8726 | 0.1024 | 0.6425 | 0.125* | |
H68B | 0.8071 | 0.1406 | 0.6529 | 0.125* | |
H68C | 0.7773 | 0.0514 | 0.6272 | 0.125* | |
C69 | 0.4934 (2) | −0.0124 (2) | 0.72396 (15) | 0.0202 (9) | |
C70 | 0.3804 (3) | 0.0228 (3) | 0.69312 (19) | 0.0350 (11) | |
H70A | 0.3837 | 0.0440 | 0.7315 | 0.042* | |
H70B | 0.3225 | −0.0089 | 0.6778 | 0.042* | |
C71 | 0.4067 (3) | 0.0873 (3) | 0.66764 (17) | 0.0313 (11) | |
C72 | 0.3584 (3) | 0.1296 (3) | 0.6668 (2) | 0.0421 (13) | |
H72 | 0.3115 | 0.1187 | 0.6831 | 0.050* | |
C73 | 0.3784 (3) | 0.1875 (3) | 0.6425 (2) | 0.0524 (16) | |
H73 | 0.3454 | 0.2167 | 0.6425 | 0.063* | |
C74 | 0.4450 (4) | 0.2036 (3) | 0.6180 (2) | 0.0555 (17) | |
H74 | 0.4570 | 0.2426 | 0.6003 | 0.067* | |
C75 | 0.4950 (3) | 0.1625 (3) | 0.6193 (2) | 0.0477 (14) | |
H75 | 0.5418 | 0.1737 | 0.6029 | 0.057* | |
C76 | 0.4756 (3) | 0.1050 (3) | 0.64475 (19) | 0.0373 (12) | |
H76 | 0.5102 | 0.0775 | 0.6465 | 0.045* | |
C77 | 0.3970 (3) | −0.0965 (3) | 0.64221 (18) | 0.0320 (11) | |
H77 | 0.4435 | −0.1134 | 0.6373 | 0.038* | |
C78 | 0.3687 (3) | −0.0837 (3) | 0.59042 (19) | 0.0479 (14) | |
H78A | 0.4127 | −0.0428 | 0.5825 | 0.072* | |
H78B | 0.3210 | −0.0698 | 0.5932 | 0.072* | |
H78C | 0.3541 | −0.1302 | 0.5619 | 0.072* | |
C79 | 0.3304 (3) | −0.1594 (3) | 0.6568 (2) | 0.0458 (13) | |
H79A | 0.3510 | −0.1662 | 0.6905 | 0.069* | |
H79B | 0.3150 | −0.2067 | 0.6288 | 0.069* | |
H79C | 0.2827 | −0.1457 | 0.6603 | 0.069* | |
C80 | 0.7481 (2) | 0.1587 (2) | 0.92652 (15) | 0.0206 (9) | |
C81 | 0.7632 (2) | 0.2844 (2) | 0.98009 (16) | 0.0252 (10) | |
H81A | 0.7355 | 0.2873 | 0.9466 | 0.030* | |
H81B | 0.8135 | 0.3304 | 0.9930 | 0.030* | |
C82 | 0.7079 (2) | 0.2838 (2) | 1.02081 (16) | 0.0236 (9) | |
C83 | 0.7263 (3) | 0.3477 (3) | 1.06246 (19) | 0.0373 (12) | |
H83 | 0.7734 | 0.3914 | 1.0651 | 0.045* | |
C84 | 0.6770 (3) | 0.3486 (3) | 1.1001 (2) | 0.0447 (13) | |
H84 | 0.6908 | 0.3923 | 1.1289 | 0.054* | |
C85 | 0.6075 (3) | 0.2859 (3) | 1.0959 (2) | 0.0463 (14) | |
H85 | 0.5725 | 0.2870 | 1.1212 | 0.056* | |
C86 | 0.5890 (3) | 0.2210 (3) | 1.05468 (19) | 0.0350 (11) | |
H86 | 0.5418 | 0.1774 | 1.0520 | 0.042* | |
C87 | 0.6395 (2) | 0.2205 (3) | 1.01777 (17) | 0.0258 (10) | |
H87 | 0.6272 | 0.1760 | 0.9899 | 0.031* | |
C88 | 0.8572 (3) | 0.2209 (3) | 1.00522 (17) | 0.0341 (12) | |
H88 | 0.8511 | 0.1673 | 1.0023 | 0.041* | |
C89 | 0.9346 (3) | 0.2579 (4) | 0.9872 (2) | 0.0645 (19) | |
H89A | 0.9312 | 0.2323 | 0.9501 | 0.097* | |
H89B | 0.9801 | 0.2548 | 1.0094 | 0.097* | |
H89C | 0.9435 | 0.3112 | 0.9904 | 0.097* | |
C90 | 0.8588 (3) | 0.2559 (4) | 1.0620 (2) | 0.068 (2) | |
H90A | 0.8064 | 0.2302 | 1.0719 | 0.102* | |
H90B | 0.8685 | 0.3096 | 1.0671 | 0.102* | |
H90C | 0.9027 | 0.2507 | 1.0845 | 0.102* | |
C91 | 0.6223 (2) | −0.1645 (2) | 0.55824 (16) | 0.0267 (10) | |
H91A | 0.6825 | −0.1440 | 0.5685 | 0.032* | |
H91B | 0.6086 | −0.1883 | 0.5195 | 0.032* | |
C92 | 0.5935 (2) | −0.0999 (2) | 0.56962 (16) | 0.0260 (10) | |
H92A | 0.6093 | −0.0744 | 0.6081 | 0.031* | |
H92B | 0.5332 | −0.1203 | 0.5606 | 0.031* | |
C93 | 0.6277 (3) | −0.0423 (2) | 0.53913 (18) | 0.0369 (12) | |
H93A | 0.6879 | −0.0253 | 0.5457 | 0.044* | |
H93B | 0.6080 | −0.0669 | 0.5007 | 0.044* | |
C94 | 0.6047 (3) | 0.0260 (3) | 0.5536 (2) | 0.0510 (15) | |
H94A | 0.6294 | 0.0612 | 0.5328 | 0.076* | |
H94B | 0.6246 | 0.0512 | 0.5916 | 0.076* | |
H94C | 0.5453 | 0.0100 | 0.5459 | 0.076* | |
C95 | 0.4772 (3) | −0.2775 (3) | 0.6439 (2) | 0.062 (2) | |
H95A | 0.4698 | −0.2296 | 0.6586 | 0.075* | 0.50 |
H95B | 0.4270 | −0.3104 | 0.6178 | 0.075* | 0.50 |
H95C | 0.4551 | −0.2369 | 0.6498 | 0.075* | 0.50 |
H95D | 0.4325 | −0.3249 | 0.6232 | 0.075* | 0.50 |
C96 | 0.4764 (6) | −0.3133 (8) | 0.6880 (4) | 0.071 (3) | 0.50 |
H96A | 0.5268 | −0.2847 | 0.7149 | 0.085* | 0.50 |
H96B | 0.4732 | −0.3659 | 0.6746 | 0.085* | 0.50 |
C97 | 0.4018 (5) | −0.3128 (6) | 0.7125 (4) | 0.0449 (19) | 0.50 |
H97A | 0.4075 | −0.2599 | 0.7277 | 0.054* | 0.50 |
H97B | 0.3524 | −0.3374 | 0.6845 | 0.054* | 0.50 |
C98 | 0.3925 (7) | −0.3535 (7) | 0.7551 (4) | 0.069 (3) | 0.50 |
H98A | 0.3393 | −0.3608 | 0.7655 | 0.103* | 0.50 |
H98B | 0.4358 | −0.3235 | 0.7859 | 0.103* | 0.50 |
H98C | 0.3963 | −0.4028 | 0.7417 | 0.103* | 0.50 |
C96' | 0.5050 (5) | −0.2873 (8) | 0.6971 (4) | 0.071 (3) | 0.50 |
H96C | 0.5436 | −0.3134 | 0.6918 | 0.085* | 0.50 |
H96D | 0.5364 | −0.2361 | 0.7209 | 0.085* | 0.50 |
C97' | 0.4438 (5) | −0.3289 (5) | 0.7268 (3) | 0.0449 (19) | 0.50 |
H97C | 0.4107 | −0.3795 | 0.7028 | 0.054* | 0.50 |
H97D | 0.4742 | −0.3368 | 0.7571 | 0.054* | 0.50 |
C98' | 0.3861 (7) | −0.2938 (8) | 0.7480 (5) | 0.069 (3) | 0.50 |
H98D | 0.3706 | −0.3098 | 0.7798 | 0.103* | 0.50 |
H98E | 0.3373 | −0.3100 | 0.7209 | 0.103* | 0.50 |
H98F | 0.4129 | −0.2385 | 0.7573 | 0.103* | 0.50 |
C99 | 0.7298 (2) | −0.2053 (2) | 0.68204 (15) | 0.0211 (9) | |
C100 | 0.8413 (2) | −0.2462 (2) | 0.70375 (17) | 0.0270 (10) | |
H10C | 0.9005 | −0.2195 | 0.7178 | 0.032* | |
H10D | 0.8347 | −0.2683 | 0.6651 | 0.032* | |
C101 | 0.8087 (2) | −0.3097 (2) | 0.72959 (16) | 0.0241 (9) | |
C102 | 0.8428 (3) | −0.3643 (3) | 0.72254 (18) | 0.0343 (11) | |
H10E | 0.8850 | −0.3605 | 0.7022 | 0.041* | |
C103 | 0.8159 (3) | −0.4240 (3) | 0.7448 (2) | 0.0427 (13) | |
H10F | 0.8394 | −0.4613 | 0.7394 | 0.051* | |
C104 | 0.7551 (3) | −0.4303 (3) | 0.7751 (2) | 0.0428 (13) | |
H10G | 0.7368 | −0.4717 | 0.7903 | 0.051* | |
C105 | 0.7217 (3) | −0.3758 (3) | 0.7827 (2) | 0.0394 (12) | |
H10H | 0.6808 | −0.3789 | 0.8041 | 0.047* | |
C106 | 0.7472 (3) | −0.3171 (3) | 0.75957 (18) | 0.0330 (11) | |
H10I | 0.7223 | −0.2808 | 0.7642 | 0.040* | |
C107 | 0.8446 (3) | −0.1171 (3) | 0.75250 (18) | 0.0363 (12) | |
H10J | 0.8189 | −0.0814 | 0.7449 | 0.044* | |
C108 | 0.8351 (4) | −0.1237 (3) | 0.8068 (2) | 0.0658 (19) | |
H10K | 0.7770 | −0.1450 | 0.8085 | 0.099* | |
H10L | 0.8604 | −0.0735 | 0.8320 | 0.099* | |
H10M | 0.8616 | −0.1568 | 0.8161 | 0.099* | |
C109 | 0.9354 (3) | −0.0818 (3) | 0.7500 (2) | 0.0630 (18) | |
H10N | 0.9415 | −0.0774 | 0.7139 | 0.095* | |
H10O | 0.9632 | −0.1141 | 0.7594 | 0.095* | |
H10P | 0.9597 | −0.0315 | 0.7751 | 0.095* | |
C110 | 0.4513 (3) | −0.3632 (3) | 0.49128 (19) | 0.0301 (10) | |
C111 | 0.4308 (3) | −0.4810 (3) | 0.42554 (18) | 0.0356 (12) | |
H11A | 0.3814 | −0.5279 | 0.4132 | 0.043* | |
H11B | 0.4656 | −0.4874 | 0.4543 | 0.043* | |
C112 | 0.4765 (3) | −0.4715 (3) | 0.38000 (19) | 0.0398 (13) | |
C113 | 0.4468 (4) | −0.5250 (3) | 0.3314 (2) | 0.0530 (15) | |
H11C | 0.3965 | −0.5664 | 0.3265 | 0.064* | |
C114 | 0.4893 (4) | −0.5190 (4) | 0.2903 (2) | 0.0620 (18) | |
H11D | 0.4681 | −0.5563 | 0.2572 | 0.074* | |
C115 | 0.5613 (4) | −0.4603 (4) | 0.2964 (2) | 0.0570 (17) | |
H11E | 0.5907 | −0.4569 | 0.2679 | 0.068* | |
C116 | 0.5917 (3) | −0.4050 (3) | 0.3449 (2) | 0.0456 (14) | |
H11F | 0.6417 | −0.3635 | 0.3494 | 0.055* | |
C117 | 0.5492 (3) | −0.4109 (3) | 0.38595 (19) | 0.0393 (13) | |
H11G | 0.5698 | −0.3731 | 0.4188 | 0.047* | |
C118 | 0.3315 (3) | −0.4151 (3) | 0.41884 (19) | 0.0422 (13) | |
H11H | 0.3117 | −0.3821 | 0.4444 | 0.051* | |
C119 | 0.3501 (3) | −0.3803 (4) | 0.3728 (2) | 0.071 (2) | |
H11I | 0.3932 | −0.3298 | 0.3860 | 0.107* | |
H11J | 0.3009 | −0.3762 | 0.3560 | 0.107* | |
H11K | 0.3684 | −0.4123 | 0.3467 | 0.107* | |
C120 | 0.2643 (3) | −0.4936 (4) | 0.4004 (2) | 0.0635 (19) | |
H12B | 0.2536 | −0.5145 | 0.4310 | 0.095* | |
H12C | 0.2815 | −0.5267 | 0.3744 | 0.095* | |
H12D | 0.2145 | −0.4901 | 0.3839 | 0.095* | |
C121 | 0.1329 (3) | −0.3201 (3) | 0.57042 (15) | 0.0406 (13) | |
H12E | 0.1657 | −0.2671 | 0.5905 | 0.049* | |
H12V | 0.1666 | −0.3500 | 0.5756 | 0.049* | |
C122 | 0.1232 (2) | −0.3215 (3) | 0.51261 (15) | 0.0331 (11) | |
H12F | 0.0993 | −0.3747 | 0.4909 | 0.040* | |
H12G | 0.0848 | −0.2969 | 0.5051 | 0.040* | |
C123 | 0.2025 (3) | −0.2821 (3) | 0.49689 (16) | 0.0472 (14) | |
H12H | 0.2223 | −0.2277 | 0.5157 | 0.057* | |
H12I | 0.2427 | −0.3020 | 0.5096 | 0.057* | |
C124 | 0.2013 (3) | −0.2889 (4) | 0.43889 (17) | 0.0603 (18) | |
H12J | 0.2558 | −0.2601 | 0.4333 | 0.090* | |
H12K | 0.1623 | −0.2688 | 0.4256 | 0.090* | |
H12L | 0.1850 | −0.3422 | 0.4197 | 0.090* | |
C125 | −0.0164 (2) | −0.4480 (2) | 0.64587 (16) | 0.0237 (9) | |
H12M | −0.0062 | −0.4261 | 0.6848 | 0.028* | |
H12N | −0.0762 | −0.4723 | 0.6337 | 0.028* | |
C126 | 0.0198 (2) | −0.5077 (2) | 0.63444 (15) | 0.0249 (9) | |
H12O | 0.0799 | −0.4831 | 0.6448 | 0.030* | |
H12P | 0.0069 | −0.5318 | 0.5957 | 0.030* | |
C127 | −0.0107 (3) | −0.5682 (2) | 0.66324 (18) | 0.0343 (11) | |
H12Q | 0.0082 | −0.5451 | 0.7019 | 0.041* | |
H12R | −0.0711 | −0.5884 | 0.6565 | 0.041* | |
C128 | 0.0174 (3) | −0.6329 (3) | 0.6468 (2) | 0.0457 (13) | |
H12S | −0.0047 | −0.6703 | 0.6666 | 0.069* | |
H12T | 0.0771 | −0.6137 | 0.6544 | 0.069* | |
H12U | −0.0018 | −0.6567 | 0.6086 | 0.069* | |
C129 | −0.1197 (2) | −0.4052 (2) | 0.51823 (14) | 0.0144 (8) | |
C130 | −0.2356 (2) | −0.3721 (2) | 0.49218 (17) | 0.0250 (10) | |
H13B | −0.2333 | −0.3548 | 0.5309 | 0.030* | |
H13C | −0.2930 | −0.4042 | 0.4759 | 0.030* | |
C131 | −0.2102 (2) | −0.3034 (3) | 0.47021 (16) | 0.0248 (10) | |
C132 | −0.1437 (3) | −0.2830 (3) | 0.44520 (18) | 0.0316 (11) | |
H13D | −0.1103 | −0.3119 | 0.4423 | 0.038* | |
C133 | −0.1250 (3) | −0.2211 (3) | 0.4244 (2) | 0.0413 (13) | |
H13E | −0.0798 | −0.2082 | 0.4067 | 0.050* | |
C134 | −0.1730 (3) | −0.1779 (3) | 0.42969 (19) | 0.0408 (13) | |
H13F | −0.1609 | −0.1356 | 0.4152 | 0.049* | |
C135 | −0.2380 (3) | −0.1962 (3) | 0.4558 (2) | 0.0417 (13) | |
H13G | −0.2698 | −0.1657 | 0.4602 | 0.050* | |
C136 | −0.2570 (3) | −0.2591 (3) | 0.47543 (17) | 0.0308 (11) | |
H13H | −0.3027 | −0.2722 | 0.4928 | 0.037* | |
C137 | −0.2162 (3) | −0.4868 (3) | 0.43653 (16) | 0.0285 (10) | |
H13I | −0.1682 | −0.5001 | 0.4286 | 0.034* | |
C138 | −0.2512 (3) | −0.4723 (3) | 0.38708 (18) | 0.0416 (13) | |
H13J | −0.2106 | −0.4288 | 0.3793 | 0.062* | |
H13K | −0.3002 | −0.4615 | 0.3928 | 0.062* | |
H13L | −0.2655 | −0.5170 | 0.3571 | 0.062* | |
C139 | −0.2760 (3) | −0.5534 (3) | 0.4505 (2) | 0.0453 (13) | |
H13M | −0.2511 | −0.5611 | 0.4826 | 0.068* | |
H13N | −0.2907 | −0.5988 | 0.4210 | 0.068* | |
H13O | −0.3252 | −0.5433 | 0.4570 | 0.068* | |
C140 | 0.1430 (2) | −0.2407 (2) | 0.71770 (16) | 0.0204 (9) | |
C141 | 0.1560 (3) | −0.1208 (3) | 0.77940 (18) | 0.0332 (11) | |
H14B | 0.1195 | −0.1186 | 0.7495 | 0.040* | |
H14C | 0.2032 | −0.0719 | 0.7906 | 0.040* | |
C142 | 0.1109 (3) | −0.1293 (3) | 0.82486 (18) | 0.0354 (12) | |
C143 | 0.0414 (3) | −0.1924 (3) | 0.82053 (19) | 0.0369 (12) | |
H14D | 0.0236 | −0.2328 | 0.7890 | 0.044* | |
C144 | −0.0024 (4) | −0.1973 (4) | 0.8615 (2) | 0.0524 (15) | |
H14E | −0.0504 | −0.2405 | 0.8580 | 0.063* | |
C145 | 0.0245 (5) | −0.1387 (5) | 0.9076 (3) | 0.078 (2) | |
H14F | −0.0055 | −0.1417 | 0.9359 | 0.094* | |
C146 | 0.0942 (5) | −0.0763 (5) | 0.9129 (3) | 0.080 (2) | |
H14G | 0.1129 | −0.0369 | 0.9449 | 0.096* | |
C147 | 0.1369 (4) | −0.0711 (4) | 0.8715 (2) | 0.0581 (17) | |
H14H | 0.1843 | −0.0274 | 0.8749 | 0.070* | |
C148 | 0.2647 (2) | −0.1753 (3) | 0.78910 (18) | 0.0339 (11) | |
H14I | 0.2850 | −0.2096 | 0.7651 | 0.041* | |
C149 | 0.2533 (3) | −0.2025 (3) | 0.8380 (2) | 0.0497 (15) | |
H14J | 0.2118 | −0.2539 | 0.8285 | 0.075* | |
H14K | 0.2356 | −0.1688 | 0.8632 | 0.075* | |
H14L | 0.3050 | −0.2026 | 0.8545 | 0.075* | |
C150 | 0.3289 (3) | −0.0959 (3) | 0.8017 (2) | 0.0529 (16) | |
H15B | 0.3347 | −0.0798 | 0.7689 | 0.079* | |
H15C | 0.3811 | −0.0955 | 0.8176 | 0.079* | |
H15D | 0.3122 | −0.0612 | 0.8267 | 0.079* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.01788 (14) | 0.02831 (18) | 0.01970 (14) | 0.00772 (13) | 0.00069 (11) | −0.00138 (12) |
Sn2 | 0.01833 (15) | 0.02719 (19) | 0.02695 (16) | 0.00804 (14) | −0.00101 (11) | −0.00219 (13) |
Sn3 | 0.01755 (14) | 0.02649 (18) | 0.02081 (15) | 0.00283 (13) | 0.00295 (11) | 0.00190 (12) |
Sn4 | 0.01812 (15) | 0.02110 (18) | 0.03409 (18) | 0.00446 (13) | 0.00249 (12) | 0.00342 (13) |
Sn5 | 0.01811 (14) | 0.02417 (18) | 0.02256 (15) | 0.00477 (13) | 0.00327 (11) | 0.00617 (12) |
S1 | 0.0250 (5) | 0.0235 (6) | 0.0240 (5) | 0.0097 (5) | −0.0020 (4) | −0.0021 (4) |
S2 | 0.0230 (5) | 0.0286 (7) | 0.0257 (6) | 0.0127 (5) | −0.0062 (4) | −0.0039 (5) |
S3 | 0.0202 (5) | 0.0249 (6) | 0.0193 (5) | 0.0076 (5) | −0.0023 (4) | 0.0002 (4) |
S4 | 0.0212 (5) | 0.0254 (6) | 0.0275 (6) | 0.0095 (5) | −0.0002 (4) | 0.0011 (5) |
S5 | 0.0275 (6) | 0.0233 (6) | 0.0290 (6) | 0.0119 (5) | −0.0027 (4) | −0.0033 (5) |
S6 | 0.0206 (5) | 0.0294 (7) | 0.0259 (6) | 0.0140 (5) | −0.0043 (4) | −0.0035 (5) |
S7 | 0.0251 (5) | 0.0255 (6) | 0.0228 (5) | 0.0085 (5) | −0.0039 (4) | 0.0005 (4) |
S8 | 0.0233 (5) | 0.0273 (7) | 0.0356 (6) | 0.0097 (5) | −0.0034 (5) | −0.0008 (5) |
S9 | 0.0309 (6) | 0.0245 (6) | 0.0254 (6) | 0.0086 (5) | −0.0011 (4) | 0.0033 (5) |
S10 | 0.0216 (5) | 0.0285 (7) | 0.0238 (6) | 0.0058 (5) | −0.0030 (4) | −0.0001 (5) |
S11 | 0.0262 (6) | 0.0259 (7) | 0.0217 (5) | 0.0058 (5) | −0.0041 (4) | 0.0007 (4) |
S12 | 0.0230 (6) | 0.0327 (7) | 0.0352 (6) | 0.0102 (5) | −0.0018 (5) | −0.0030 (5) |
S13 | 0.0259 (5) | 0.0195 (6) | 0.0229 (5) | 0.0082 (5) | 0.0000 (4) | −0.0005 (4) |
S14 | 0.0276 (6) | 0.0213 (6) | 0.0281 (6) | 0.0107 (5) | −0.0004 (4) | 0.0021 (4) |
S15 | 0.0311 (6) | 0.0259 (7) | 0.0291 (6) | 0.0119 (5) | −0.0080 (5) | −0.0020 (5) |
S16 | 0.0197 (6) | 0.0284 (8) | 0.0865 (11) | 0.0064 (6) | −0.0082 (6) | 0.0078 (7) |
S17 | 0.0233 (5) | 0.0214 (6) | 0.0230 (5) | 0.0090 (5) | −0.0005 (4) | 0.0022 (4) |
S18 | 0.0221 (5) | 0.0235 (6) | 0.0226 (5) | 0.0091 (5) | 0.0015 (4) | 0.0036 (4) |
S19 | 0.0322 (6) | 0.0286 (7) | 0.0225 (6) | 0.0122 (5) | −0.0070 (4) | 0.0012 (5) |
S20 | 0.0213 (5) | 0.0288 (7) | 0.0306 (6) | 0.0076 (5) | 0.0000 (4) | 0.0075 (5) |
N1 | 0.0209 (18) | 0.022 (2) | 0.0219 (18) | 0.0077 (16) | −0.0023 (14) | 0.0068 (15) |
N2 | 0.0160 (16) | 0.025 (2) | 0.0199 (18) | 0.0057 (16) | 0.0024 (13) | −0.0004 (14) |
N3 | 0.0165 (16) | 0.020 (2) | 0.0255 (19) | 0.0074 (15) | −0.0002 (14) | 0.0057 (15) |
N4 | 0.0151 (16) | 0.022 (2) | 0.0222 (18) | −0.0011 (15) | 0.0003 (13) | −0.0033 (15) |
N5 | 0.0228 (18) | 0.026 (2) | 0.029 (2) | 0.0025 (17) | −0.0024 (15) | 0.0083 (16) |
N6 | 0.0178 (17) | 0.029 (2) | 0.0208 (18) | 0.0013 (17) | 0.0014 (14) | −0.0027 (15) |
N7 | 0.0280 (19) | 0.015 (2) | 0.028 (2) | 0.0054 (16) | −0.0032 (15) | 0.0057 (15) |
N8 | 0.026 (2) | 0.028 (2) | 0.025 (2) | −0.0029 (18) | −0.0026 (15) | 0.0091 (16) |
N9 | 0.0182 (17) | 0.024 (2) | 0.0233 (18) | 0.0060 (16) | 0.0009 (14) | 0.0099 (15) |
N10 | 0.0223 (18) | 0.029 (2) | 0.0223 (19) | 0.0029 (17) | −0.0008 (15) | 0.0051 (16) |
C1 | 0.027 (2) | 0.024 (3) | 0.053 (3) | 0.000 (2) | −0.010 (2) | 0.012 (2) |
C2 | 0.026 (3) | 0.029 (3) | 0.020 (3) | 0.003 (2) | 0.002 (3) | 0.014 (3) |
C3 | 0.037 (3) | 0.032 (3) | 0.034 (3) | 0.012 (3) | 0.009 (3) | 0.007 (3) |
C4 | 0.038 (3) | 0.039 (3) | 0.038 (5) | 0.013 (3) | 0.004 (4) | 0.006 (3) |
C2' | 0.026 (3) | 0.029 (3) | 0.020 (3) | 0.003 (2) | 0.002 (3) | 0.014 (3) |
C3' | 0.037 (3) | 0.032 (3) | 0.034 (3) | 0.012 (3) | 0.009 (3) | 0.007 (3) |
C4' | 0.038 (3) | 0.039 (3) | 0.038 (5) | 0.013 (3) | 0.004 (4) | 0.006 (3) |
C5 | 0.022 (2) | 0.039 (3) | 0.025 (2) | 0.011 (2) | 0.0024 (18) | −0.003 (2) |
C6 | 0.034 (3) | 0.077 (4) | 0.039 (3) | 0.031 (3) | 0.010 (2) | 0.023 (3) |
C7 | 0.033 (3) | 0.046 (3) | 0.042 (3) | 0.014 (3) | 0.014 (2) | 0.006 (2) |
C8 | 0.064 (4) | 0.185 (9) | 0.067 (5) | 0.086 (5) | 0.040 (4) | 0.069 (5) |
C9 | 0.022 (2) | 0.013 (2) | 0.0151 (19) | 0.0038 (17) | 0.0020 (15) | 0.0041 (15) |
C10 | 0.022 (2) | 0.034 (3) | 0.033 (2) | 0.013 (2) | 0.0012 (18) | 0.012 (2) |
C11 | 0.027 (2) | 0.021 (3) | 0.024 (2) | 0.004 (2) | −0.0069 (18) | −0.0006 (18) |
C12 | 0.034 (3) | 0.026 (3) | 0.052 (3) | 0.010 (2) | −0.014 (2) | 0.001 (2) |
C13 | 0.050 (3) | 0.028 (3) | 0.064 (4) | 0.010 (3) | −0.014 (3) | 0.014 (3) |
C14 | 0.064 (4) | 0.028 (3) | 0.040 (3) | 0.001 (3) | −0.017 (3) | 0.012 (2) |
C15 | 0.052 (3) | 0.034 (3) | 0.031 (3) | 0.004 (3) | 0.008 (2) | 0.009 (2) |
C16 | 0.033 (3) | 0.031 (3) | 0.032 (3) | 0.012 (2) | 0.004 (2) | 0.009 (2) |
C17 | 0.024 (2) | 0.029 (3) | 0.026 (2) | 0.005 (2) | −0.0072 (18) | 0.0019 (19) |
C18 | 0.027 (2) | 0.043 (3) | 0.039 (3) | 0.005 (2) | −0.006 (2) | 0.007 (2) |
C19 | 0.040 (3) | 0.046 (3) | 0.027 (3) | 0.008 (3) | 0.007 (2) | −0.003 (2) |
C20 | 0.0115 (18) | 0.025 (2) | 0.019 (2) | 0.0062 (18) | 0.0069 (15) | 0.0081 (17) |
C21 | 0.021 (2) | 0.019 (2) | 0.022 (2) | 0.0034 (19) | 0.0015 (16) | 0.0021 (17) |
C22 | 0.023 (2) | 0.020 (2) | 0.021 (2) | 0.0091 (19) | 0.0050 (16) | 0.0077 (17) |
C23 | 0.020 (2) | 0.024 (3) | 0.023 (2) | 0.0070 (19) | 0.0032 (16) | 0.0057 (17) |
C24 | 0.030 (2) | 0.029 (3) | 0.033 (3) | 0.012 (2) | 0.0137 (19) | 0.016 (2) |
C25 | 0.047 (3) | 0.038 (3) | 0.036 (3) | 0.023 (3) | 0.024 (2) | 0.016 (2) |
C26 | 0.058 (3) | 0.027 (3) | 0.032 (3) | 0.018 (3) | 0.019 (2) | 0.003 (2) |
C27 | 0.035 (3) | 0.019 (3) | 0.030 (2) | 0.009 (2) | 0.0084 (19) | 0.0035 (19) |
C28 | 0.019 (2) | 0.035 (3) | 0.023 (2) | 0.010 (2) | −0.0044 (17) | 0.0003 (19) |
C29 | 0.059 (4) | 0.109 (6) | 0.025 (3) | 0.056 (4) | 0.000 (2) | 0.020 (3) |
C30 | 0.021 (3) | 0.090 (5) | 0.063 (4) | 0.008 (3) | 0.002 (2) | 0.033 (4) |
C31 | 0.024 (2) | 0.036 (3) | 0.033 (3) | 0.009 (2) | 0.0028 (19) | −0.003 (2) |
C32 | 0.026 (2) | 0.050 (3) | 0.029 (3) | 0.014 (2) | 0.0018 (19) | −0.005 (2) |
C33 | 0.041 (3) | 0.049 (4) | 0.048 (3) | 0.017 (3) | 0.019 (2) | 0.003 (3) |
C34 | 0.039 (3) | 0.092 (5) | 0.043 (3) | 0.024 (3) | 0.014 (3) | 0.013 (3) |
C35 | 0.026 (2) | 0.028 (3) | 0.047 (3) | 0.005 (2) | −0.008 (2) | 0.004 (2) |
C36 | 0.033 (3) | 0.051 (4) | 0.074 (4) | 0.014 (3) | 0.000 (3) | 0.022 (3) |
C37 | 0.065 (4) | 0.084 (6) | 0.080 (5) | 0.024 (4) | 0.024 (4) | 0.033 (4) |
C38 | 0.056 (4) | 0.035 (4) | 0.094 (5) | 0.022 (3) | 0.022 (3) | 0.014 (3) |
C39 | 0.0139 (18) | 0.020 (2) | 0.019 (2) | 0.0056 (17) | 0.0037 (15) | 0.0093 (16) |
C40 | 0.020 (2) | 0.032 (3) | 0.035 (3) | 0.015 (2) | 0.0032 (18) | 0.008 (2) |
C41 | 0.023 (2) | 0.024 (3) | 0.023 (2) | 0.009 (2) | −0.0032 (17) | 0.0023 (18) |
C42 | 0.037 (3) | 0.038 (3) | 0.036 (3) | 0.020 (2) | 0.003 (2) | 0.009 (2) |
C43 | 0.060 (4) | 0.045 (4) | 0.053 (4) | 0.032 (3) | 0.006 (3) | 0.018 (3) |
C44 | 0.060 (4) | 0.038 (3) | 0.042 (3) | 0.017 (3) | −0.002 (3) | 0.019 (2) |
C45 | 0.042 (3) | 0.044 (4) | 0.042 (3) | 0.010 (3) | 0.009 (2) | 0.020 (3) |
C46 | 0.033 (3) | 0.035 (3) | 0.039 (3) | 0.015 (2) | 0.008 (2) | 0.014 (2) |
C47 | 0.024 (2) | 0.026 (3) | 0.022 (2) | 0.009 (2) | −0.0016 (17) | 0.0012 (18) |
C48 | 0.039 (3) | 0.044 (3) | 0.029 (3) | 0.010 (3) | 0.009 (2) | 0.004 (2) |
C49 | 0.020 (2) | 0.036 (3) | 0.034 (3) | 0.000 (2) | −0.0007 (18) | 0.012 (2) |
C50 | 0.0155 (19) | 0.023 (2) | 0.024 (2) | 0.0050 (18) | 0.0071 (16) | 0.0115 (17) |
C51 | 0.024 (2) | 0.020 (2) | 0.022 (2) | 0.0004 (19) | 0.0032 (17) | 0.0061 (17) |
C52 | 0.027 (2) | 0.024 (3) | 0.021 (2) | 0.012 (2) | 0.0029 (17) | 0.0064 (17) |
C53 | 0.027 (2) | 0.030 (3) | 0.028 (2) | 0.006 (2) | 0.0024 (18) | 0.005 (2) |
C54 | 0.030 (2) | 0.038 (3) | 0.037 (3) | 0.009 (2) | 0.009 (2) | 0.018 (2) |
C55 | 0.052 (3) | 0.051 (4) | 0.036 (3) | 0.027 (3) | 0.026 (2) | 0.020 (2) |
C56 | 0.057 (3) | 0.036 (3) | 0.036 (3) | 0.011 (3) | 0.020 (3) | 0.000 (2) |
C57 | 0.036 (3) | 0.031 (3) | 0.032 (3) | 0.003 (2) | 0.009 (2) | 0.003 (2) |
C58 | 0.019 (2) | 0.048 (3) | 0.028 (2) | 0.009 (2) | −0.0017 (18) | 0.001 (2) |
C59 | 0.041 (3) | 0.057 (4) | 0.045 (3) | 0.016 (3) | −0.004 (2) | 0.026 (3) |
C60 | 0.023 (3) | 0.083 (5) | 0.038 (3) | −0.009 (3) | −0.004 (2) | 0.018 (3) |
C61 | 0.020 (2) | 0.034 (3) | 0.026 (2) | 0.008 (2) | 0.0035 (17) | 0.0063 (19) |
C62 | 0.024 (2) | 0.032 (3) | 0.029 (2) | 0.007 (2) | 0.0051 (18) | 0.003 (2) |
C63 | 0.046 (3) | 0.047 (4) | 0.044 (3) | 0.017 (3) | 0.016 (2) | 0.017 (3) |
C64 | 0.053 (3) | 0.034 (3) | 0.065 (4) | 0.018 (3) | 0.021 (3) | 0.017 (3) |
C65 | 0.029 (2) | 0.041 (3) | 0.031 (3) | 0.004 (2) | 0.005 (2) | 0.002 (2) |
C66 | 0.048 (3) | 0.058 (4) | 0.052 (3) | 0.030 (3) | 0.020 (3) | 0.025 (3) |
C67 | 0.047 (3) | 0.056 (4) | 0.054 (4) | 0.014 (3) | 0.029 (3) | 0.013 (3) |
C68 | 0.071 (4) | 0.154 (8) | 0.071 (5) | 0.076 (5) | 0.043 (4) | 0.054 (5) |
C69 | 0.025 (2) | 0.021 (2) | 0.017 (2) | 0.0063 (19) | 0.0052 (16) | 0.0118 (17) |
C70 | 0.027 (2) | 0.039 (3) | 0.038 (3) | 0.009 (2) | 0.001 (2) | 0.016 (2) |
C71 | 0.027 (2) | 0.029 (3) | 0.028 (2) | 0.004 (2) | −0.0077 (19) | 0.005 (2) |
C72 | 0.033 (3) | 0.037 (3) | 0.046 (3) | 0.008 (2) | −0.011 (2) | 0.006 (2) |
C73 | 0.045 (3) | 0.038 (4) | 0.063 (4) | 0.007 (3) | −0.021 (3) | 0.016 (3) |
C74 | 0.064 (4) | 0.034 (4) | 0.053 (4) | 0.004 (3) | −0.020 (3) | 0.018 (3) |
C75 | 0.049 (3) | 0.040 (4) | 0.040 (3) | 0.001 (3) | 0.002 (2) | 0.013 (3) |
C76 | 0.038 (3) | 0.032 (3) | 0.037 (3) | 0.009 (2) | −0.002 (2) | 0.012 (2) |
C77 | 0.026 (2) | 0.026 (3) | 0.032 (3) | −0.001 (2) | −0.0068 (19) | 0.005 (2) |
C78 | 0.058 (3) | 0.042 (4) | 0.030 (3) | 0.006 (3) | −0.003 (2) | 0.009 (2) |
C79 | 0.046 (3) | 0.039 (3) | 0.038 (3) | 0.002 (3) | 0.002 (2) | 0.008 (2) |
C80 | 0.0060 (17) | 0.027 (3) | 0.022 (2) | −0.0017 (17) | 0.0023 (15) | 0.0072 (17) |
C81 | 0.023 (2) | 0.023 (3) | 0.020 (2) | −0.001 (2) | 0.0032 (17) | 0.0041 (18) |
C82 | 0.021 (2) | 0.026 (3) | 0.024 (2) | 0.009 (2) | 0.0036 (17) | 0.0086 (18) |
C83 | 0.034 (3) | 0.033 (3) | 0.041 (3) | 0.010 (2) | 0.014 (2) | 0.005 (2) |
C84 | 0.052 (3) | 0.032 (3) | 0.047 (3) | 0.013 (3) | 0.023 (3) | 0.001 (2) |
C85 | 0.050 (3) | 0.046 (4) | 0.053 (3) | 0.024 (3) | 0.032 (3) | 0.015 (3) |
C86 | 0.027 (2) | 0.031 (3) | 0.049 (3) | 0.010 (2) | 0.013 (2) | 0.015 (2) |
C87 | 0.023 (2) | 0.024 (3) | 0.033 (2) | 0.010 (2) | 0.0062 (18) | 0.0089 (19) |
C88 | 0.023 (2) | 0.039 (3) | 0.029 (2) | 0.009 (2) | −0.0047 (19) | −0.004 (2) |
C89 | 0.024 (3) | 0.106 (6) | 0.058 (4) | 0.010 (3) | 0.004 (3) | 0.035 (4) |
C90 | 0.055 (4) | 0.139 (7) | 0.031 (3) | 0.059 (4) | 0.004 (3) | 0.030 (4) |
C91 | 0.016 (2) | 0.033 (3) | 0.025 (2) | 0.004 (2) | 0.0045 (17) | 0.0041 (19) |
C92 | 0.024 (2) | 0.024 (3) | 0.024 (2) | 0.001 (2) | 0.0027 (17) | 0.0066 (18) |
C93 | 0.040 (3) | 0.031 (3) | 0.036 (3) | 0.005 (2) | 0.011 (2) | 0.016 (2) |
C94 | 0.059 (4) | 0.040 (4) | 0.056 (4) | 0.014 (3) | 0.014 (3) | 0.025 (3) |
C95 | 0.027 (3) | 0.055 (4) | 0.065 (4) | −0.011 (3) | 0.019 (3) | −0.026 (3) |
C96 | 0.079 (5) | 0.051 (5) | 0.078 (4) | 0.003 (4) | 0.061 (4) | 0.022 (3) |
C97 | 0.033 (3) | 0.055 (4) | 0.048 (4) | 0.018 (3) | 0.012 (3) | 0.010 (3) |
C98 | 0.066 (4) | 0.074 (5) | 0.073 (4) | 0.032 (4) | 0.024 (3) | 0.021 (4) |
C96' | 0.079 (5) | 0.051 (5) | 0.078 (4) | 0.003 (4) | 0.061 (4) | 0.022 (3) |
C97' | 0.033 (3) | 0.055 (4) | 0.048 (4) | 0.018 (3) | 0.012 (3) | 0.010 (3) |
C98' | 0.066 (4) | 0.074 (5) | 0.073 (4) | 0.032 (4) | 0.024 (3) | 0.021 (4) |
C99 | 0.030 (2) | 0.009 (2) | 0.021 (2) | 0.0050 (18) | −0.0039 (17) | 0.0041 (16) |
C100 | 0.023 (2) | 0.027 (3) | 0.032 (2) | 0.012 (2) | 0.0012 (18) | 0.0086 (19) |
C101 | 0.025 (2) | 0.023 (2) | 0.022 (2) | 0.010 (2) | −0.0039 (17) | 0.0034 (17) |
C102 | 0.039 (3) | 0.037 (3) | 0.031 (3) | 0.022 (2) | 0.002 (2) | 0.006 (2) |
C103 | 0.061 (3) | 0.035 (3) | 0.041 (3) | 0.029 (3) | 0.002 (3) | 0.012 (2) |
C104 | 0.059 (3) | 0.032 (3) | 0.038 (3) | 0.017 (3) | −0.001 (3) | 0.017 (2) |
C105 | 0.041 (3) | 0.042 (3) | 0.039 (3) | 0.015 (3) | 0.010 (2) | 0.020 (2) |
C106 | 0.037 (3) | 0.036 (3) | 0.034 (3) | 0.019 (2) | 0.011 (2) | 0.015 (2) |
C107 | 0.039 (3) | 0.029 (3) | 0.032 (3) | 0.015 (2) | −0.014 (2) | −0.004 (2) |
C108 | 0.067 (4) | 0.056 (4) | 0.039 (3) | −0.006 (3) | 0.021 (3) | −0.014 (3) |
C109 | 0.061 (4) | 0.054 (4) | 0.041 (3) | −0.014 (3) | 0.012 (3) | 0.005 (3) |
C110 | 0.025 (2) | 0.019 (3) | 0.043 (3) | 0.001 (2) | 0.011 (2) | 0.012 (2) |
C111 | 0.043 (3) | 0.025 (3) | 0.025 (2) | 0.002 (2) | −0.007 (2) | 0.004 (2) |
C112 | 0.046 (3) | 0.036 (3) | 0.030 (3) | 0.014 (3) | −0.007 (2) | 0.003 (2) |
C113 | 0.067 (4) | 0.044 (4) | 0.034 (3) | 0.013 (3) | −0.002 (3) | 0.000 (3) |
C114 | 0.081 (5) | 0.058 (4) | 0.036 (3) | 0.023 (4) | 0.004 (3) | −0.003 (3) |
C115 | 0.069 (4) | 0.076 (5) | 0.043 (3) | 0.045 (4) | 0.017 (3) | 0.017 (3) |
C116 | 0.039 (3) | 0.060 (4) | 0.048 (3) | 0.029 (3) | 0.004 (2) | 0.019 (3) |
C117 | 0.038 (3) | 0.045 (3) | 0.034 (3) | 0.020 (3) | −0.005 (2) | 0.006 (2) |
C118 | 0.022 (2) | 0.064 (4) | 0.034 (3) | 0.004 (3) | 0.000 (2) | 0.023 (3) |
C119 | 0.049 (3) | 0.133 (7) | 0.070 (4) | 0.048 (4) | 0.025 (3) | 0.075 (5) |
C120 | 0.029 (3) | 0.082 (5) | 0.046 (3) | −0.004 (3) | −0.005 (2) | −0.004 (3) |
C121 | 0.024 (2) | 0.056 (4) | 0.027 (3) | 0.000 (2) | 0.0026 (19) | 0.008 (2) |
C122 | 0.029 (2) | 0.038 (3) | 0.034 (3) | 0.012 (2) | 0.012 (2) | 0.011 (2) |
C123 | 0.034 (3) | 0.067 (4) | 0.032 (3) | 0.007 (3) | 0.009 (2) | 0.014 (3) |
C124 | 0.042 (3) | 0.099 (6) | 0.038 (3) | 0.023 (4) | 0.017 (3) | 0.018 (3) |
C125 | 0.019 (2) | 0.028 (3) | 0.020 (2) | 0.0017 (19) | 0.0040 (16) | 0.0096 (18) |
C126 | 0.025 (2) | 0.023 (3) | 0.021 (2) | 0.003 (2) | 0.0063 (17) | 0.0042 (17) |
C127 | 0.038 (3) | 0.034 (3) | 0.032 (3) | 0.012 (2) | 0.010 (2) | 0.013 (2) |
C128 | 0.047 (3) | 0.037 (3) | 0.057 (4) | 0.016 (3) | 0.014 (3) | 0.019 (3) |
C129 | 0.0139 (18) | 0.010 (2) | 0.0171 (19) | 0.0000 (16) | −0.0020 (14) | 0.0095 (15) |
C130 | 0.016 (2) | 0.029 (3) | 0.030 (2) | 0.0083 (19) | −0.0004 (17) | 0.0105 (19) |
C131 | 0.021 (2) | 0.026 (3) | 0.022 (2) | 0.006 (2) | −0.0021 (17) | 0.0052 (18) |
C132 | 0.027 (2) | 0.033 (3) | 0.034 (3) | 0.010 (2) | 0.0062 (19) | 0.012 (2) |
C133 | 0.037 (3) | 0.043 (3) | 0.042 (3) | 0.008 (3) | 0.004 (2) | 0.018 (2) |
C134 | 0.045 (3) | 0.033 (3) | 0.038 (3) | 0.009 (3) | −0.006 (2) | 0.013 (2) |
C135 | 0.044 (3) | 0.039 (3) | 0.040 (3) | 0.020 (3) | −0.006 (2) | 0.004 (2) |
C136 | 0.026 (2) | 0.039 (3) | 0.026 (2) | 0.014 (2) | −0.0011 (18) | 0.005 (2) |
C137 | 0.028 (2) | 0.027 (3) | 0.022 (2) | 0.002 (2) | −0.0033 (18) | 0.0062 (19) |
C138 | 0.044 (3) | 0.044 (3) | 0.027 (3) | 0.007 (3) | −0.006 (2) | 0.011 (2) |
C139 | 0.044 (3) | 0.035 (3) | 0.036 (3) | −0.008 (3) | 0.001 (2) | 0.006 (2) |
C140 | 0.020 (2) | 0.023 (2) | 0.023 (2) | 0.0077 (19) | 0.0065 (16) | 0.0151 (17) |
C141 | 0.038 (3) | 0.021 (3) | 0.030 (3) | 0.003 (2) | −0.010 (2) | 0.0036 (19) |
C142 | 0.044 (3) | 0.036 (3) | 0.029 (3) | 0.024 (3) | −0.003 (2) | 0.004 (2) |
C143 | 0.042 (3) | 0.042 (3) | 0.032 (3) | 0.024 (3) | 0.002 (2) | 0.007 (2) |
C144 | 0.056 (3) | 0.074 (5) | 0.046 (3) | 0.042 (3) | 0.019 (3) | 0.021 (3) |
C145 | 0.104 (6) | 0.121 (7) | 0.047 (4) | 0.085 (6) | 0.033 (4) | 0.018 (4) |
C146 | 0.099 (6) | 0.089 (6) | 0.047 (4) | 0.050 (5) | 0.010 (4) | −0.015 (4) |
C147 | 0.066 (4) | 0.058 (4) | 0.039 (3) | 0.030 (3) | −0.008 (3) | −0.014 (3) |
C148 | 0.017 (2) | 0.044 (3) | 0.030 (3) | 0.004 (2) | −0.0036 (18) | 0.005 (2) |
C149 | 0.040 (3) | 0.073 (4) | 0.042 (3) | 0.024 (3) | −0.001 (2) | 0.025 (3) |
C150 | 0.031 (3) | 0.057 (4) | 0.044 (3) | −0.006 (3) | −0.004 (2) | 0.000 (3) |
Sn1—C1 | 2.141 (5) | C59—H59B | 0.9800 |
Sn1—C5 | 2.146 (4) | C59—H59C | 0.9800 |
Sn1—S1 | 2.529 (1) | C60—H60A | 0.9800 |
Sn1—S2 | 2.887 (1) | C60—H60B | 0.9800 |
Sn1—S3 | 2.536 (1) | C60—H60C | 0.9800 |
Sn1—S4 | 3.031 (1) | C61—C62 | 1.512 (4) |
Sn2—C35 | 2.126 (5) | C61—H61A | 0.9900 |
Sn2—C31 | 2.141 (4) | C61—H61B | 0.9900 |
Sn2—S5 | 2.531 (1) | C62—C63 | 1.501 (4) |
Sn2—S6 | 2.877 (1) | C62—H62A | 0.9900 |
Sn2—S7 | 2.530 (1) | C62—H62B | 0.9900 |
Sn2—S8 | 3.042 (1) | C63—C64 | 1.507 (4) |
Sn3—C61 | 2.141 (4) | C63—H63A | 0.9900 |
Sn3—C65 | 2.156 (4) | C63—H63B | 0.9900 |
Sn3—S9 | 2.535 (1) | C64—H64A | 0.9800 |
Sn3—S10 | 2.869 (1) | C64—H64B | 0.9800 |
Sn3—S11 | 2.529 (1) | C64—H64C | 0.9800 |
Sn3—S12 | 3.025 (1) | C65—C66 | 1.497 (4) |
Sn4—C95 | 2.134 (4) | C65—H65A | 0.9900 |
Sn4—C91 | 2.140 (4) | C65—H65B | 0.9900 |
Sn4—S13 | 2.544 (1) | C66—C67 | 1.507 (4) |
Sn4—S14 | 2.831 (1) | C66—H66A | 0.9900 |
Sn4—S15 | 2.538 (1) | C66—H66B | 0.9900 |
Sn4—S16 | 3.009 (1) | C67—C68 | 1.496 (4) |
Sn5—C121 | 2.136 (4) | C67—H67A | 0.9900 |
Sn5—C125 | 2.141 (4) | C67—H67B | 0.9900 |
Sn5—S17 | 2.546 (1) | C68—H68A | 0.9800 |
Sn5—S18 | 2.837 (1) | C68—H68B | 0.9800 |
Sn5—S19 | 2.549 (1) | C68—H68C | 0.9800 |
Sn5—S20 | 3.036 (1) | C70—C71 | 1.507 (7) |
S1—C9 | 1.757 (4) | C70—H70A | 0.9900 |
S2—C9 | 1.686 (4) | C70—H70B | 0.9900 |
S3—C20 | 1.738 (4) | C71—C76 | 1.381 (7) |
S4—C20 | 1.695 (4) | C71—C72 | 1.385 (6) |
S5—C39 | 1.745 (4) | C72—C73 | 1.374 (7) |
S6—C39 | 1.701 (4) | C72—H72 | 0.9500 |
S7—C50 | 1.736 (4) | C73—C74 | 1.370 (8) |
S8—C50 | 1.688 (4) | C73—H73 | 0.9500 |
S9—C69 | 1.742 (4) | C74—C75 | 1.392 (8) |
S10—C69 | 1.683 (4) | C74—H74 | 0.9500 |
S11—C80 | 1.760 (4) | C75—C76 | 1.388 (7) |
S12—C80 | 1.682 (4) | C75—H75 | 0.9500 |
S13—C99 | 1.744 (4) | C76—H76 | 0.9500 |
S14—C99 | 1.699 (4) | C77—C78 | 1.506 (6) |
S15—C110 | 1.731 (5) | C77—C79 | 1.528 (7) |
S16—C110 | 1.706 (5) | C77—H77 | 1.0000 |
S17—C129 | 1.750 (4) | C78—H78A | 0.9800 |
S18—C129 | 1.693 (4) | C78—H78B | 0.9800 |
S19—C140 | 1.730 (4) | C78—H78C | 0.9800 |
S20—C140 | 1.692 (4) | C79—H79A | 0.9800 |
N1—C9 | 1.342 (5) | C79—H79B | 0.9800 |
N1—C10 | 1.469 (5) | C79—H79C | 0.9800 |
N1—C17 | 1.491 (5) | C81—C82 | 1.513 (6) |
N2—C20 | 1.351 (5) | C81—H81A | 0.9900 |
N2—C21 | 1.469 (5) | C81—H81B | 0.9900 |
N2—C28 | 1.488 (5) | C82—C87 | 1.384 (6) |
N3—C39 | 1.339 (4) | C82—C83 | 1.386 (6) |
N3—C40 | 1.475 (5) | C83—C84 | 1.378 (6) |
N3—C47 | 1.489 (5) | C83—H83 | 0.9500 |
N4—C50 | 1.356 (5) | C84—C85 | 1.381 (7) |
N4—C51 | 1.469 (5) | C84—H84 | 0.9500 |
N4—C58 | 1.488 (5) | C85—C86 | 1.391 (7) |
N5—C69 | 1.353 (5) | C85—H85 | 0.9500 |
N5—C70 | 1.474 (5) | C86—C87 | 1.379 (6) |
N5—C77 | 1.493 (5) | C86—H86 | 0.9500 |
N6—C80 | 1.343 (5) | C87—H87 | 0.9500 |
N6—C81 | 1.459 (5) | C88—C89 | 1.488 (7) |
N6—C88 | 1.496 (5) | C88—C90 | 1.490 (6) |
N7—C99 | 1.345 (5) | C88—H88 | 1.0000 |
N7—C100 | 1.474 (5) | C89—H89A | 0.9800 |
N7—C107 | 1.483 (5) | C89—H89B | 0.9800 |
N8—C110 | 1.347 (5) | C89—H89C | 0.9800 |
N8—C111 | 1.465 (6) | C90—H90A | 0.9800 |
N8—C118 | 1.492 (5) | C90—H90B | 0.9800 |
N9—C129 | 1.337 (4) | C90—H90C | 0.9800 |
N9—C130 | 1.471 (5) | C91—C92 | 1.502 (4) |
N9—C137 | 1.496 (5) | C91—H91A | 0.9900 |
N10—C140 | 1.360 (5) | C91—H91B | 0.9900 |
N10—C141 | 1.466 (5) | C92—C93 | 1.509 (4) |
N10—C148 | 1.487 (5) | C92—H92A | 0.9900 |
C1—C2' | 1.495 (4) | C92—H92B | 0.9900 |
C1—C2 | 1.539 (4) | C93—C94 | 1.510 (4) |
C1—H1A | 0.9900 | C93—H93A | 0.9900 |
C1—H1B | 0.9900 | C93—H93B | 0.9900 |
C1—H1C | 0.9900 | C94—H94A | 0.9800 |
C1—H1D | 0.9900 | C94—H94B | 0.9800 |
C2—C3 | 1.505 (5) | C94—H94C | 0.9800 |
C2—H2A | 0.9900 | C95—C96 | 1.476 (5) |
C2—H2B | 0.9900 | C95—C96' | 1.513 (5) |
C3—C4 | 1.497 (5) | C95—H95A | 0.9900 |
C3—H3A | 0.9900 | C95—H95B | 0.9900 |
C3—H3B | 0.9900 | C95—H95C | 0.9900 |
C4—H4A | 0.9800 | C95—H95D | 0.9900 |
C4—H4B | 0.9800 | C96—C97 | 1.527 (5) |
C4—H4C | 0.9800 | C96—H96A | 0.9900 |
C2'—C3' | 1.505 (5) | C96—H96B | 0.9900 |
C2'—H2C | 0.9900 | C97—C98 | 1.494 (5) |
C2'—H2D | 0.9900 | C97—H97A | 0.9900 |
C3'—C4' | 1.499 (5) | C97—H97B | 0.9900 |
C3'—H3C | 0.9900 | C98—H98A | 0.9800 |
C3'—H3D | 0.9900 | C98—H98B | 0.9800 |
C4'—H4D | 0.9800 | C98—H98C | 0.9800 |
C4'—H4E | 0.9800 | C96'—C97' | 1.504 (5) |
C4'—H4F | 0.9800 | C96'—H96C | 0.9900 |
C5—C6 | 1.501 (4) | C96'—H96D | 0.9900 |
C5—H5A | 0.9900 | C97'—C98' | 1.502 (5) |
C5—H5B | 0.9900 | C97'—H97C | 0.9900 |
C6—C7 | 1.500 (4) | C97'—H97D | 0.9900 |
C6—H6A | 0.9900 | C98'—H98D | 0.9800 |
C6—H6B | 0.9900 | C98'—H98E | 0.9800 |
C7—C8 | 1.494 (4) | C98'—H98F | 0.9800 |
C7—H7A | 0.9900 | C100—C101 | 1.507 (6) |
C7—H7B | 0.9900 | C100—H10C | 0.9900 |
C8—H8A | 0.9800 | C100—H10D | 0.9900 |
C8—H8B | 0.9800 | C101—C102 | 1.388 (6) |
C8—H8C | 0.9800 | C101—C106 | 1.388 (6) |
C10—C11 | 1.516 (6) | C102—C103 | 1.374 (7) |
C10—H10A | 0.9900 | C102—H10E | 0.9500 |
C10—H10B | 0.9900 | C103—C104 | 1.384 (7) |
C11—C16 | 1.385 (6) | C103—H10F | 0.9500 |
C11—C12 | 1.399 (6) | C104—C105 | 1.377 (7) |
C12—C13 | 1.379 (7) | C104—H10G | 0.9500 |
C12—H12 | 0.9500 | C105—C106 | 1.372 (7) |
C13—C14 | 1.378 (8) | C105—H10H | 0.9500 |
C13—H13 | 0.9500 | C106—H10I | 0.9500 |
C14—C15 | 1.374 (7) | C107—C108 | 1.475 (7) |
C14—H14 | 0.9500 | C107—C109 | 1.534 (7) |
C15—C16 | 1.395 (7) | C107—H10J | 1.0000 |
C15—H15 | 0.9500 | C108—H10K | 0.9800 |
C16—H16 | 0.9500 | C108—H10L | 0.9800 |
C17—C19 | 1.507 (6) | C108—H10M | 0.9800 |
C17—C18 | 1.531 (6) | C109—H10N | 0.9800 |
C17—H17 | 1.0000 | C109—H10O | 0.9800 |
C18—H18A | 0.9800 | C109—H10P | 0.9800 |
C18—H18B | 0.9800 | C111—C112 | 1.511 (7) |
C18—H18C | 0.9800 | C111—H11A | 0.9900 |
C19—H19A | 0.9800 | C111—H11B | 0.9900 |
C19—H19B | 0.9800 | C112—C113 | 1.383 (6) |
C19—H19C | 0.9800 | C112—C117 | 1.385 (7) |
C21—C22 | 1.522 (5) | C113—C114 | 1.373 (8) |
C21—H21A | 0.9900 | C113—H11C | 0.9500 |
C21—H21B | 0.9900 | C114—C115 | 1.359 (8) |
C22—C27 | 1.387 (5) | C114—H11D | 0.9500 |
C22—C23 | 1.387 (6) | C115—C116 | 1.396 (7) |
C23—C24 | 1.386 (6) | C115—H11E | 0.9500 |
C23—H23 | 0.9500 | C116—C117 | 1.373 (7) |
C24—C25 | 1.378 (6) | C116—H11F | 0.9500 |
C24—H24 | 0.9500 | C117—H11G | 0.9500 |
C25—C26 | 1.381 (7) | C118—C119 | 1.517 (7) |
C25—H25 | 0.9500 | C118—C120 | 1.523 (7) |
C26—C27 | 1.378 (6) | C118—H11H | 1.0000 |
C26—H26 | 0.9500 | C119—H11I | 0.9800 |
C27—H27 | 0.9500 | C119—H11J | 0.9800 |
C28—C30 | 1.494 (7) | C119—H11K | 0.9800 |
C28—C29 | 1.499 (6) | C120—H12B | 0.9800 |
C28—H28 | 1.0000 | C120—H12C | 0.9800 |
C29—H29A | 0.9800 | C120—H12D | 0.9800 |
C29—H29B | 0.9800 | C121—C122 | 1.503 (4) |
C29—H29C | 0.9800 | C121—H12E | 0.9900 |
C30—H30A | 0.9800 | C121—H12V | 0.9900 |
C30—H30B | 0.9800 | C122—C123 | 1.498 (4) |
C30—H30C | 0.9800 | C122—H12F | 0.9900 |
C31—C32 | 1.514 (4) | C122—H12G | 0.9900 |
C31—H31A | 0.9900 | C123—C124 | 1.494 (4) |
C31—H31B | 0.9900 | C123—H12H | 0.9900 |
C32—C33 | 1.515 (4) | C123—H12I | 0.9900 |
C32—H32A | 0.9900 | C124—H12J | 0.9800 |
C32—H32B | 0.9900 | C124—H12K | 0.9800 |
C33—C34 | 1.503 (4) | C124—H12L | 0.9800 |
C33—H33A | 0.9900 | C125—C126 | 1.506 (4) |
C33—H33B | 0.9900 | C125—H12M | 0.9900 |
C34—H34A | 0.9800 | C125—H12N | 0.9900 |
C34—H34B | 0.9800 | C126—C127 | 1.511 (4) |
C34—H34C | 0.9800 | C126—H12O | 0.9900 |
C35—C36 | 1.522 (4) | C126—H12P | 0.9900 |
C35—H35A | 0.9900 | C127—C128 | 1.508 (4) |
C35—H35B | 0.9900 | C127—H12Q | 0.9900 |
C36—C37 | 1.481 (4) | C127—H12R | 0.9900 |
C36—H36A | 0.9900 | C128—H12S | 0.9800 |
C36—H36B | 0.9900 | C128—H12T | 0.9800 |
C37—C38 | 1.510 (4) | C128—H12U | 0.9800 |
C37—H37A | 0.9900 | C130—C131 | 1.516 (6) |
C37—H37B | 0.9900 | C130—H13B | 0.9900 |
C38—H38A | 0.9800 | C130—H13C | 0.9900 |
C38—H38B | 0.9800 | C131—C132 | 1.383 (6) |
C38—H38C | 0.9800 | C131—C136 | 1.389 (6) |
C40—C41 | 1.504 (6) | C132—C133 | 1.382 (7) |
C40—H40A | 0.9900 | C132—H13D | 0.9500 |
C40—H40B | 0.9900 | C133—C134 | 1.388 (7) |
C41—C46 | 1.382 (6) | C133—H13E | 0.9500 |
C41—C42 | 1.397 (6) | C134—C135 | 1.375 (7) |
C42—C43 | 1.382 (7) | C134—H13F | 0.9500 |
C42—H42 | 0.9500 | C135—C136 | 1.382 (7) |
C43—C44 | 1.368 (7) | C135—H13G | 0.9500 |
C43—H43 | 0.9500 | C136—H13H | 0.9500 |
C44—C45 | 1.374 (7) | C137—C139 | 1.508 (6) |
C44—H44 | 0.9500 | C137—C138 | 1.512 (6) |
C45—C46 | 1.398 (7) | C137—H13I | 1.0000 |
C45—H45 | 0.9500 | C138—H13J | 0.9800 |
C46—H46 | 0.9500 | C138—H13K | 0.9800 |
C47—C48 | 1.516 (6) | C138—H13L | 0.9800 |
C47—C49 | 1.532 (5) | C139—H13M | 0.9800 |
C47—H47 | 1.0000 | C139—H13N | 0.9800 |
C48—H48A | 0.9800 | C139—H13O | 0.9800 |
C48—H48B | 0.9800 | C141—C142 | 1.502 (7) |
C48—H48C | 0.9800 | C141—H14B | 0.9900 |
C49—H49A | 0.9800 | C141—H14C | 0.9900 |
C49—H49B | 0.9800 | C142—C143 | 1.386 (7) |
C49—H49C | 0.9800 | C142—C147 | 1.391 (6) |
C51—C52 | 1.514 (6) | C143—C144 | 1.381 (7) |
C51—H51A | 0.9900 | C143—H14D | 0.9500 |
C51—H51B | 0.9900 | C144—C145 | 1.385 (8) |
C52—C57 | 1.390 (6) | C144—H14E | 0.9500 |
C52—C53 | 1.392 (6) | C145—C146 | 1.376 (10) |
C53—C54 | 1.373 (6) | C145—H14F | 0.9500 |
C53—H53 | 0.9500 | C146—C147 | 1.379 (9) |
C54—C55 | 1.389 (7) | C146—H14G | 0.9500 |
C54—H54 | 0.9500 | C147—H14H | 0.9500 |
C55—C56 | 1.374 (7) | C148—C149 | 1.495 (7) |
C55—H55 | 0.9500 | C148—C150 | 1.517 (7) |
C56—C57 | 1.388 (6) | C148—H14I | 1.0000 |
C56—H56 | 0.9500 | C149—H14J | 0.9800 |
C57—H57 | 0.9500 | C149—H14K | 0.9800 |
C58—C59 | 1.485 (7) | C149—H14L | 0.9800 |
C58—C60 | 1.509 (7) | C150—H15B | 0.9800 |
C58—H58 | 1.0000 | C150—H15C | 0.9800 |
C59—H59A | 0.9800 | C150—H15D | 0.9800 |
C1—Sn1—C5 | 129.0 (2) | C63—C62—C61 | 113.9 (3) |
C1—Sn1—S1 | 108.14 (11) | C63—C62—H62A | 108.8 |
C5—Sn1—S1 | 115.24 (11) | C61—C62—H62A | 108.8 |
C1—Sn1—S3 | 105.81 (13) | C63—C62—H62B | 108.8 |
C5—Sn1—S3 | 106.94 (13) | C61—C62—H62B | 108.8 |
S1—Sn1—S3 | 79.95 (3) | H62A—C62—H62B | 107.7 |
C1—Sn1—S2 | 86.46 (13) | C62—C63—C64 | 113.9 (4) |
C5—Sn1—S2 | 87.93 (11) | C62—C63—H63A | 108.8 |
S1—Sn1—S2 | 65.65 (3) | C64—C63—H63A | 108.8 |
S3—Sn1—S2 | 145.60 (3) | C62—C63—H63B | 108.8 |
C1—Sn1—S4 | 80.36 (12) | C64—C63—H63B | 108.8 |
C5—Sn1—S4 | 80.46 (11) | H63A—C63—H63B | 107.7 |
S1—Sn1—S4 | 143.47 (3) | C63—C64—H64A | 109.5 |
S3—Sn1—S4 | 63.67 (3) | C63—C64—H64B | 109.5 |
S2—Sn1—S4 | 150.70 (3) | H64A—C64—H64B | 109.5 |
C31—Sn2—C35 | 128.4 (2) | C63—C64—H64C | 109.5 |
C35—Sn2—S7 | 106.00 (12) | H64A—C64—H64C | 109.5 |
C31—Sn2—S7 | 107.25 (13) | H64B—C64—H64C | 109.5 |
C35—Sn2—S5 | 108.31 (11) | C66—C65—Sn3 | 119.0 (3) |
C31—Sn2—S5 | 114.79 (12) | C66—C65—H65A | 107.6 |
S7—Sn2—S5 | 81.23 (3) | Sn3—C65—H65A | 107.6 |
C35—Sn2—S6 | 85.55 (13) | C66—C65—H65B | 107.6 |
C31—Sn2—S6 | 87.23 (12) | Sn3—C65—H65B | 107.6 |
S7—Sn2—S6 | 147.15 (3) | H65A—C65—H65B | 107.0 |
S5—Sn2—S6 | 65.92 (3) | C65—C66—C67 | 112.3 (4) |
C35—Sn2—S8 | 79.77 (12) | C65—C66—H66A | 109.1 |
C31—Sn2—S8 | 81.11 (11) | C67—C66—H66A | 109.1 |
S7—Sn2—S8 | 63.56 (3) | C65—C66—H66B | 109.1 |
S5—Sn2—S8 | 144.60 (3) | C67—C66—H66B | 109.1 |
S6—Sn2—S8 | 149.20 (3) | H66A—C66—H66B | 107.9 |
C61—Sn3—C65 | 127.1 (2) | C68—C67—C66 | 114.6 (4) |
C61—Sn3—S11 | 107.63 (11) | C68—C67—H67A | 108.6 |
C65—Sn3—S11 | 106.19 (14) | C66—C67—H67A | 108.6 |
C61—Sn3—S9 | 108.84 (10) | C68—C67—H67B | 108.6 |
C65—Sn3—S9 | 115.46 (12) | C66—C67—H67B | 108.6 |
S11—Sn3—S9 | 81.45 (3) | H67A—C67—H67B | 107.6 |
C61—Sn3—S10 | 84.20 (12) | C67—C68—H68A | 109.5 |
C65—Sn3—S10 | 88.60 (12) | C67—C68—H68B | 109.5 |
S11—Sn3—S10 | 147.29 (3) | H68A—C68—H68B | 109.5 |
S9—Sn3—S10 | 65.84 (3) | C67—C68—H68C | 109.5 |
C61—Sn3—S12 | 80.57 (11) | H68A—C68—H68C | 109.5 |
C65—Sn3—S12 | 79.22 (11) | H68B—C68—H68C | 109.5 |
S11—Sn3—S12 | 63.97 (3) | N5—C69—S10 | 122.2 (3) |
S9—Sn3—S12 | 145.29 (3) | N5—C69—S9 | 118.8 (3) |
S10—Sn3—S12 | 148.67 (3) | S10—C69—S9 | 119.0 (2) |
C91—Sn4—C95 | 136.9 (2) | N5—C70—C71 | 116.0 (4) |
C95—Sn4—S15 | 103.13 (15) | N5—C70—H70A | 108.3 |
C91—Sn4—S15 | 102.40 (11) | C71—C70—H70A | 108.3 |
C95—Sn4—S13 | 110.33 (16) | N5—C70—H70B | 108.3 |
C91—Sn4—S13 | 106.98 (10) | C71—C70—H70B | 108.3 |
S15—Sn4—S13 | 82.49 (3) | H70A—C70—H70B | 107.4 |
C95—Sn4—S14 | 90.28 (14) | C76—C71—C72 | 119.3 (5) |
C91—Sn4—S14 | 85.44 (11) | C76—C71—C70 | 122.9 (4) |
S15—Sn4—S14 | 148.73 (3) | C72—C71—C70 | 117.8 (4) |
S13—Sn4—S14 | 66.32 (3) | C73—C72—C71 | 119.9 (5) |
C95—Sn4—S16 | 81.52 (15) | C73—C72—H72 | 120.0 |
C91—Sn4—S16 | 79.25 (11) | C71—C72—H72 | 120.0 |
S15—Sn4—S16 | 64.01 (4) | C74—C73—C72 | 121.1 (5) |
S13—Sn4—S16 | 146.39 (4) | C74—C73—H73 | 119.5 |
S14—Sn4—S16 | 146.91 (3) | C72—C73—H73 | 119.5 |
C121—Sn5—C125 | 135.6 (2) | C73—C74—C75 | 119.7 (6) |
C121—Sn5—S17 | 110.68 (13) | C73—C74—H74 | 120.1 |
C125—Sn5—S17 | 108.94 (10) | C75—C74—H74 | 120.1 |
C121—Sn5—S19 | 101.62 (14) | C76—C75—C74 | 119.1 (5) |
C125—Sn5—S19 | 102.85 (11) | C76—C75—H75 | 120.4 |
S17—Sn5—S19 | 82.03 (3) | C74—C75—H75 | 120.4 |
C121—Sn5—S18 | 92.04 (12) | C71—C76—C75 | 120.8 (5) |
C125—Sn5—S18 | 86.15 (11) | C71—C76—H76 | 119.6 |
S17—Sn5—S18 | 66.22 (3) | C75—C76—H76 | 119.6 |
S19—Sn5—S18 | 148.17 (3) | N5—C77—C78 | 113.2 (4) |
C121—Sn5—S20 | 79.36 (11) | N5—C77—C79 | 109.9 (4) |
C125—Sn5—S20 | 79.39 (11) | C78—C77—C79 | 111.7 (4) |
S17—Sn5—S20 | 145.39 (3) | N5—C77—H77 | 107.2 |
S19—Sn5—S20 | 63.38 (3) | C78—C77—H77 | 107.2 |
S18—Sn5—S20 | 148.23 (3) | C79—C77—H77 | 107.2 |
C9—S1—Sn1 | 93.06 (13) | C77—C78—H78A | 109.5 |
C9—S2—Sn1 | 82.79 (13) | C77—C78—H78B | 109.5 |
C20—S3—Sn1 | 96.11 (14) | H78A—C78—H78B | 109.5 |
C20—S4—Sn1 | 80.66 (13) | C77—C78—H78C | 109.5 |
C39—S5—Sn2 | 92.80 (12) | H78A—C78—H78C | 109.5 |
C39—S6—Sn2 | 82.45 (13) | H78B—C78—H78C | 109.5 |
C50—S7—Sn2 | 95.88 (14) | C77—C79—H79A | 109.5 |
C50—S8—Sn2 | 79.96 (14) | C77—C79—H79B | 109.5 |
C69—S9—Sn3 | 92.46 (13) | H79A—C79—H79B | 109.5 |
C69—S10—Sn3 | 82.71 (14) | C77—C79—H79C | 109.5 |
C80—S11—Sn3 | 95.66 (14) | H79A—C79—H79C | 109.5 |
C80—S12—Sn3 | 80.91 (13) | H79B—C79—H79C | 109.5 |
C99—S13—Sn4 | 92.06 (13) | N6—C80—S12 | 123.5 (3) |
C99—S14—Sn4 | 83.62 (13) | N6—C80—S11 | 117.1 (3) |
C110—S15—Sn4 | 95.72 (16) | S12—C80—S11 | 119.4 (2) |
C110—S16—Sn4 | 80.73 (16) | N6—C81—C82 | 114.1 (4) |
C129—S17—Sn5 | 92.08 (12) | N6—C81—H81A | 108.7 |
C129—S18—Sn5 | 83.75 (13) | C82—C81—H81A | 108.7 |
C140—S19—Sn5 | 95.61 (14) | N6—C81—H81B | 108.7 |
C140—S20—Sn5 | 80.31 (14) | C82—C81—H81B | 108.7 |
C9—N1—C10 | 120.9 (3) | H81A—C81—H81B | 107.6 |
C9—N1—C17 | 119.6 (3) | C87—C82—C83 | 119.0 (4) |
C10—N1—C17 | 119.5 (3) | C87—C82—C81 | 121.5 (4) |
C20—N2—C21 | 122.0 (3) | C83—C82—C81 | 119.6 (4) |
C20—N2—C28 | 121.3 (3) | C84—C83—C82 | 120.7 (5) |
C21—N2—C28 | 116.5 (3) | C84—C83—H83 | 119.7 |
C39—N3—C40 | 120.7 (3) | C82—C83—H83 | 119.7 |
C39—N3—C47 | 120.4 (3) | C83—C84—C85 | 120.0 (5) |
C40—N3—C47 | 118.9 (3) | C83—C84—H84 | 120.0 |
C50—N4—C51 | 121.5 (3) | C85—C84—H84 | 120.0 |
C50—N4—C58 | 120.4 (3) | C84—C85—C86 | 119.9 (5) |
C51—N4—C58 | 118.1 (3) | C84—C85—H85 | 120.1 |
C69—N5—C70 | 121.2 (4) | C86—C85—H85 | 120.1 |
C69—N5—C77 | 120.2 (4) | C87—C86—C85 | 119.5 (5) |
C70—N5—C77 | 118.4 (3) | C87—C86—H86 | 120.2 |
C80—N6—C81 | 122.8 (3) | C85—C86—H86 | 120.2 |
C80—N6—C88 | 120.0 (4) | C86—C87—C82 | 120.9 (4) |
C81—N6—C88 | 117.1 (3) | C86—C87—H87 | 119.5 |
C99—N7—C100 | 120.3 (3) | C82—C87—H87 | 119.5 |
C99—N7—C107 | 120.8 (3) | C89—C88—C90 | 112.4 (5) |
C100—N7—C107 | 118.9 (3) | C89—C88—N6 | 110.5 (4) |
C110—N8—C111 | 120.9 (4) | C90—C88—N6 | 112.8 (4) |
C110—N8—C118 | 121.0 (4) | C89—C88—H88 | 106.9 |
C111—N8—C118 | 118.1 (4) | C90—C88—H88 | 106.9 |
C129—N9—C130 | 121.3 (3) | N6—C88—H88 | 106.9 |
C129—N9—C137 | 120.2 (3) | C88—C89—H89A | 109.5 |
C130—N9—C137 | 118.2 (3) | C88—C89—H89B | 109.5 |
C140—N10—C141 | 121.4 (3) | H89A—C89—H89B | 109.5 |
C140—N10—C148 | 120.9 (4) | C88—C89—H89C | 109.5 |
C141—N10—C148 | 117.7 (4) | H89A—C89—H89C | 109.5 |
C2'—C1—Sn1 | 128.1 (5) | H89B—C89—H89C | 109.5 |
C2—C1—Sn1 | 102.3 (3) | C88—C90—H90A | 109.5 |
C2—C1—H1A | 111.3 | C88—C90—H90B | 109.5 |
Sn1—C1—H1A | 111.3 | H90A—C90—H90B | 109.5 |
C2'—C1—H1B | 108.4 | C88—C90—H90C | 109.5 |
C2—C1—H1B | 111.3 | H90A—C90—H90C | 109.5 |
Sn1—C1—H1B | 111.3 | H90B—C90—H90C | 109.5 |
H1A—C1—H1B | 109.2 | C92—C91—Sn4 | 114.7 (3) |
C2'—C1—H1C | 105.3 | C92—C91—H91A | 108.6 |
C2—C1—H1C | 133.9 | Sn4—C91—H91A | 108.6 |
Sn1—C1—H1C | 105.3 | C92—C91—H91B | 108.6 |
C2'—C1—H1D | 105.3 | Sn4—C91—H91B | 108.6 |
C2—C1—H1D | 101.5 | H91A—C91—H91B | 107.6 |
Sn1—C1—H1D | 105.3 | C91—C92—C93 | 113.3 (3) |
H1C—C1—H1D | 106.0 | C91—C92—H92A | 108.9 |
C3—C2—C1 | 111.9 (5) | C93—C92—H92A | 108.9 |
C3—C2—H2A | 109.2 | C91—C92—H92B | 108.9 |
C1—C2—H2A | 109.2 | C93—C92—H92B | 108.9 |
C3—C2—H2B | 109.2 | H92A—C92—H92B | 107.7 |
C1—C2—H2B | 109.2 | C94—C93—C92 | 113.8 (4) |
H2A—C2—H2B | 107.9 | C94—C93—H93A | 108.8 |
C4—C3—C2 | 115.8 (6) | C92—C93—H93A | 108.8 |
C4—C3—H3A | 108.3 | C94—C93—H93B | 108.8 |
C2—C3—H3A | 108.3 | C92—C93—H93B | 108.8 |
C4—C3—H3B | 108.3 | H93A—C93—H93B | 107.7 |
C2—C3—H3B | 108.3 | C93—C94—H94A | 109.5 |
H3A—C3—H3B | 107.4 | C93—C94—H94B | 109.5 |
C3—C4—H4A | 109.5 | H94A—C94—H94B | 109.5 |
C3—C4—H4B | 109.5 | C93—C94—H94C | 109.5 |
H4A—C4—H4B | 109.5 | H94A—C94—H94C | 109.5 |
C3—C4—H4C | 109.5 | H94B—C94—H94C | 109.5 |
H4A—C4—H4C | 109.5 | C96—C95—Sn4 | 126.3 (4) |
H4B—C4—H4C | 109.5 | C96'—C95—Sn4 | 113.6 (4) |
C1—C2'—C3' | 109.4 (5) | C96—C95—H95A | 105.7 |
C1—C2'—H2C | 109.8 | C96'—C95—H95A | 95.5 |
C3'—C2'—H2C | 109.8 | Sn4—C95—H95A | 105.7 |
C1—C2'—H2D | 109.8 | C96—C95—H95B | 105.7 |
C3'—C2'—H2D | 109.8 | Sn4—C95—H95B | 105.7 |
H2C—C2'—H2D | 108.3 | H95A—C95—H95B | 106.2 |
C4'—C3'—C2' | 114.5 (6) | C96—C95—H95C | 114.1 |
C4'—C3'—H3C | 108.6 | C96'—C95—H95C | 108.9 |
C2'—C3'—H3C | 108.6 | Sn4—C95—H95C | 108.9 |
C4'—C3'—H3D | 108.6 | C96'—C95—H95D | 108.9 |
C2'—C3'—H3D | 108.6 | Sn4—C95—H95D | 108.9 |
H3C—C3'—H3D | 107.6 | H95C—C95—H95D | 107.7 |
C3'—C4'—H4D | 109.5 | C95—C96—C97 | 107.2 (5) |
C3'—C4'—H4E | 109.5 | C95—C96—H96A | 110.3 |
H4D—C4'—H4E | 109.5 | C97—C96—H96A | 110.3 |
C3'—C4'—H4F | 109.5 | C95—C96—H96B | 110.3 |
H4D—C4'—H4F | 109.5 | C97—C96—H96B | 110.3 |
H4E—C4'—H4F | 109.5 | H96A—C96—H96B | 108.5 |
C6—C5—Sn1 | 119.0 (3) | C98—C97—C96 | 110.9 (6) |
C6—C5—H5A | 107.6 | C98—C97—H97A | 109.5 |
Sn1—C5—H5A | 107.6 | C96—C97—H97A | 109.5 |
C6—C5—H5B | 107.6 | C98—C97—H97B | 109.5 |
Sn1—C5—H5B | 107.6 | C96—C97—H97B | 109.5 |
H5A—C5—H5B | 107.0 | H97A—C97—H97B | 108.0 |
C7—C6—C5 | 112.9 (3) | C97—C98—H98A | 109.5 |
C7—C6—H6A | 109.0 | C97—C98—H98B | 109.5 |
C5—C6—H6A | 109.0 | H98A—C98—H98B | 109.5 |
C7—C6—H6B | 109.0 | C97—C98—H98C | 109.5 |
C5—C6—H6B | 109.0 | H98A—C98—H98C | 109.5 |
H6A—C6—H6B | 107.8 | H98B—C98—H98C | 109.5 |
C8—C7—C6 | 117.4 (4) | C97'—C96'—C95 | 120.4 (7) |
C8—C7—H7A | 108.0 | C97'—C96'—H96C | 107.2 |
C6—C7—H7A | 108.0 | C95—C96'—H96C | 107.2 |
C8—C7—H7B | 108.0 | C97'—C96'—H96D | 107.2 |
C6—C7—H7B | 108.0 | C95—C96'—H96D | 107.2 |
H7A—C7—H7B | 107.2 | H96C—C96'—H96D | 106.9 |
C7—C8—H8A | 109.5 | C98'—C97'—C96' | 118.2 (10) |
C7—C8—H8B | 109.5 | C98'—C97'—H97C | 107.7 |
H8A—C8—H8B | 109.5 | C96'—C97'—H97C | 107.7 |
C7—C8—H8C | 109.5 | C98'—C97'—H97D | 107.7 |
H8A—C8—H8C | 109.5 | C96'—C97'—H97D | 107.7 |
H8B—C8—H8C | 109.5 | H97C—C97'—H97D | 107.1 |
N1—C9—S2 | 123.9 (3) | C97'—C98'—H98D | 109.5 |
N1—C9—S1 | 118.0 (3) | C97'—C98'—H98E | 109.5 |
S2—C9—S1 | 118.0 (2) | H98D—C98'—H98E | 109.5 |
N1—C10—C11 | 115.2 (4) | C97'—C98'—H98F | 109.5 |
N1—C10—H10A | 108.5 | H98D—C98'—H98F | 109.5 |
C11—C10—H10A | 108.5 | H98E—C98'—H98F | 109.5 |
N1—C10—H10B | 108.5 | N7—C99—S14 | 122.8 (3) |
C11—C10—H10B | 108.5 | N7—C99—S13 | 119.1 (3) |
H10A—C10—H10B | 107.5 | S14—C99—S13 | 117.9 (2) |
C16—C11—C12 | 118.6 (5) | N7—C100—C101 | 115.1 (4) |
C16—C11—C10 | 124.1 (4) | N7—C100—H10C | 108.5 |
C12—C11—C10 | 117.3 (4) | C101—C100—H10C | 108.5 |
C13—C12—C11 | 120.3 (5) | N7—C100—H10D | 108.5 |
C13—C12—H12 | 119.9 | C101—C100—H10D | 108.5 |
C11—C12—H12 | 119.9 | H10C—C100—H10D | 107.5 |
C14—C13—C12 | 120.7 (5) | C102—C101—C106 | 118.2 (4) |
C14—C13—H13 | 119.7 | C102—C101—C100 | 117.1 (4) |
C12—C13—H13 | 119.7 | C106—C101—C100 | 124.6 (4) |
C15—C14—C13 | 119.9 (5) | C103—C102—C101 | 120.4 (5) |
C15—C14—H14 | 120.1 | C103—C102—H10E | 119.8 |
C13—C14—H14 | 120.1 | C101—C102—H10E | 119.8 |
C14—C15—C16 | 120.0 (5) | C102—C103—C104 | 120.8 (5) |
C14—C15—H15 | 120.0 | C102—C103—H10F | 119.6 |
C16—C15—H15 | 120.0 | C104—C103—H10F | 119.6 |
C11—C16—C15 | 120.6 (4) | C105—C104—C103 | 119.1 (5) |
C11—C16—H16 | 119.7 | C105—C104—H10G | 120.5 |
C15—C16—H16 | 119.7 | C103—C104—H10G | 120.5 |
N1—C17—C19 | 111.4 (4) | C106—C105—C104 | 120.2 (5) |
N1—C17—C18 | 112.5 (4) | C106—C105—H10H | 119.9 |
C19—C17—C18 | 110.7 (4) | C104—C105—H10H | 119.9 |
N1—C17—H17 | 107.3 | C105—C106—C101 | 121.2 (4) |
C19—C17—H17 | 107.3 | C105—C106—H10I | 119.4 |
C18—C17—H17 | 107.3 | C101—C106—H10I | 119.4 |
C17—C18—H18A | 109.5 | C108—C107—N7 | 112.5 (4) |
C17—C18—H18B | 109.5 | C108—C107—C109 | 109.7 (4) |
H18A—C18—H18B | 109.5 | N7—C107—C109 | 112.2 (4) |
C17—C18—H18C | 109.5 | C108—C107—H10J | 107.4 |
H18A—C18—H18C | 109.5 | N7—C107—H10J | 107.4 |
H18B—C18—H18C | 109.5 | C109—C107—H10J | 107.4 |
C17—C19—H19A | 109.5 | C107—C108—H10K | 109.5 |
C17—C19—H19B | 109.5 | C107—C108—H10L | 109.5 |
H19A—C19—H19B | 109.5 | H10K—C108—H10L | 109.5 |
C17—C19—H19C | 109.5 | C107—C108—H10M | 109.5 |
H19A—C19—H19C | 109.5 | H10K—C108—H10M | 109.5 |
H19B—C19—H19C | 109.5 | H10L—C108—H10M | 109.5 |
N2—C20—S4 | 122.2 (3) | C107—C109—H10N | 109.5 |
N2—C20—S3 | 118.2 (3) | C107—C109—H10O | 109.5 |
S4—C20—S3 | 119.6 (2) | H10N—C109—H10O | 109.5 |
N2—C21—C22 | 113.8 (4) | C107—C109—H10P | 109.5 |
N2—C21—H21A | 108.8 | H10N—C109—H10P | 109.5 |
C22—C21—H21A | 108.8 | H10O—C109—H10P | 109.5 |
N2—C21—H21B | 108.8 | N8—C110—S16 | 120.9 (3) |
C22—C21—H21B | 108.8 | N8—C110—S15 | 119.6 (3) |
H21A—C21—H21B | 107.7 | S16—C110—S15 | 119.4 (3) |
C27—C22—C23 | 118.9 (4) | N8—C111—C112 | 114.5 (4) |
C27—C22—C21 | 119.6 (4) | N8—C111—H11A | 108.6 |
C23—C22—C21 | 121.5 (4) | C112—C111—H11A | 108.6 |
C24—C23—C22 | 120.6 (4) | N8—C111—H11B | 108.6 |
C24—C23—H23 | 119.7 | C112—C111—H11B | 108.6 |
C22—C23—H23 | 119.7 | H11A—C111—H11B | 107.6 |
C25—C24—C23 | 119.8 (4) | C113—C112—C117 | 118.6 (5) |
C25—C24—H24 | 120.1 | C113—C112—C111 | 119.9 (5) |
C23—C24—H24 | 120.1 | C117—C112—C111 | 121.5 (4) |
C24—C25—C26 | 119.9 (4) | C114—C113—C112 | 120.7 (6) |
C24—C25—H25 | 120.1 | C114—C113—H11C | 119.7 |
C26—C25—H25 | 120.1 | C112—C113—H11C | 119.7 |
C27—C26—C25 | 120.3 (4) | C115—C114—C113 | 120.7 (5) |
C27—C26—H26 | 119.8 | C115—C114—H11D | 119.6 |
C25—C26—H26 | 119.8 | C113—C114—H11D | 119.6 |
C26—C27—C22 | 120.4 (4) | C114—C115—C116 | 119.5 (6) |
C26—C27—H27 | 119.8 | C114—C115—H11E | 120.3 |
C22—C27—H27 | 119.8 | C116—C115—H11E | 120.3 |
N2—C28—C30 | 110.5 (4) | C117—C116—C115 | 119.8 (6) |
N2—C28—C29 | 112.2 (3) | C117—C116—H11F | 120.1 |
C30—C28—C29 | 112.9 (4) | C115—C116—H11F | 120.1 |
N2—C28—H28 | 107.0 | C116—C117—C112 | 120.7 (5) |
C30—C28—H28 | 107.0 | C116—C117—H11G | 119.7 |
C29—C28—H28 | 107.0 | C112—C117—H11G | 119.7 |
C28—C29—H29A | 109.5 | N8—C118—C119 | 110.9 (4) |
C28—C29—H29B | 109.5 | N8—C118—C120 | 110.6 (4) |
H29A—C29—H29B | 109.5 | C119—C118—C120 | 111.5 (5) |
C28—C29—H29C | 109.5 | N8—C118—H11H | 107.9 |
H29A—C29—H29C | 109.5 | C119—C118—H11H | 107.9 |
H29B—C29—H29C | 109.5 | C120—C118—H11H | 107.9 |
C28—C30—H30A | 109.5 | C118—C119—H11I | 109.5 |
C28—C30—H30B | 109.5 | C118—C119—H11J | 109.5 |
H30A—C30—H30B | 109.5 | H11I—C119—H11J | 109.5 |
C28—C30—H30C | 109.5 | C118—C119—H11K | 109.5 |
H30A—C30—H30C | 109.5 | H11I—C119—H11K | 109.5 |
H30B—C30—H30C | 109.5 | H11J—C119—H11K | 109.5 |
C32—C31—Sn2 | 118.2 (3) | C118—C120—H12B | 109.5 |
C32—C31—H31A | 107.8 | C118—C120—H12C | 109.5 |
Sn2—C31—H31A | 107.8 | H12B—C120—H12C | 109.5 |
C32—C31—H31B | 107.8 | C118—C120—H12D | 109.5 |
Sn2—C31—H31B | 107.8 | H12B—C120—H12D | 109.5 |
H31A—C31—H31B | 107.1 | H12C—C120—H12D | 109.5 |
C31—C32—C33 | 110.7 (3) | C122—C121—Sn5 | 122.5 (3) |
C31—C32—H32A | 109.5 | C122—C121—H12E | 106.7 |
C33—C32—H32A | 109.5 | Sn5—C121—H12E | 106.7 |
C31—C32—H32B | 109.5 | C122—C121—H12V | 106.7 |
C33—C32—H32B | 109.5 | Sn5—C121—H12V | 106.7 |
H32A—C32—H32B | 108.1 | H12E—C121—H12V | 106.6 |
C34—C33—C32 | 114.7 (4) | C123—C122—C121 | 112.3 (3) |
C34—C33—H33A | 108.6 | C123—C122—H12F | 109.1 |
C32—C33—H33A | 108.6 | C121—C122—H12F | 109.1 |
C34—C33—H33B | 108.6 | C123—C122—H12G | 109.1 |
C32—C33—H33B | 108.6 | C121—C122—H12G | 109.1 |
H33A—C33—H33B | 107.6 | H12F—C122—H12G | 107.9 |
C33—C34—H34A | 109.5 | C124—C123—C122 | 116.5 (4) |
C33—C34—H34B | 109.5 | C124—C123—H12H | 108.2 |
H34A—C34—H34B | 109.5 | C122—C123—H12H | 108.2 |
C33—C34—H34C | 109.5 | C124—C123—H12I | 108.2 |
H34A—C34—H34C | 109.5 | C122—C123—H12I | 108.2 |
H34B—C34—H34C | 109.5 | H12H—C123—H12I | 107.3 |
C36—C35—Sn2 | 108.8 (3) | C123—C124—H12J | 109.5 |
C36—C35—H35A | 109.9 | C123—C124—H12K | 109.5 |
Sn2—C35—H35A | 109.9 | H12J—C124—H12K | 109.5 |
C36—C35—H35B | 109.9 | C123—C124—H12L | 109.5 |
Sn2—C35—H35B | 109.9 | H12J—C124—H12L | 109.5 |
H35A—C35—H35B | 108.3 | H12K—C124—H12L | 109.5 |
C37—C36—C35 | 114.7 (4) | C126—C125—Sn5 | 114.0 (3) |
C37—C36—H36A | 108.6 | C126—C125—H12M | 108.7 |
C35—C36—H36A | 108.6 | Sn5—C125—H12M | 108.7 |
C37—C36—H36B | 108.6 | C126—C125—H12N | 108.7 |
C35—C36—H36B | 108.6 | Sn5—C125—H12N | 108.7 |
H36A—C36—H36B | 107.6 | H12M—C125—H12N | 107.6 |
C36—C37—C38 | 113.2 (4) | C125—C126—C127 | 113.4 (3) |
C36—C37—H37A | 108.9 | C125—C126—H12O | 108.9 |
C38—C37—H37A | 108.9 | C127—C126—H12O | 108.9 |
C36—C37—H37B | 108.9 | C125—C126—H12P | 108.9 |
C38—C37—H37B | 108.9 | C127—C126—H12P | 108.9 |
H37A—C37—H37B | 107.7 | H12O—C126—H12P | 107.7 |
C37—C38—H38A | 109.5 | C128—C127—C126 | 113.5 (3) |
C37—C38—H38B | 109.5 | C128—C127—H12Q | 108.9 |
H38A—C38—H38B | 109.5 | C126—C127—H12Q | 108.9 |
C37—C38—H38C | 109.5 | C128—C127—H12R | 108.9 |
H38A—C38—H38C | 109.5 | C126—C127—H12R | 108.9 |
H38B—C38—H38C | 109.5 | H12Q—C127—H12R | 107.7 |
N3—C39—S6 | 122.7 (3) | C127—C128—H12S | 109.5 |
N3—C39—S5 | 119.1 (3) | C127—C128—H12T | 109.5 |
S6—C39—S5 | 118.2 (2) | H12S—C128—H12T | 109.5 |
N3—C40—C41 | 115.5 (3) | C127—C128—H12U | 109.5 |
N3—C40—H40A | 108.4 | H12S—C128—H12U | 109.5 |
C41—C40—H40A | 108.4 | H12T—C128—H12U | 109.5 |
N3—C40—H40B | 108.4 | N9—C129—S18 | 122.8 (3) |
C41—C40—H40B | 108.4 | N9—C129—S17 | 119.2 (3) |
H40A—C40—H40B | 107.5 | S18—C129—S17 | 117.95 (19) |
C46—C41—C42 | 118.5 (5) | N9—C130—C131 | 115.2 (3) |
C46—C41—C40 | 124.3 (4) | N9—C130—H13B | 108.5 |
C42—C41—C40 | 117.3 (4) | C131—C130—H13B | 108.5 |
C43—C42—C41 | 120.2 (5) | N9—C130—H13C | 108.5 |
C43—C42—H42 | 119.9 | C131—C130—H13C | 108.5 |
C41—C42—H42 | 119.9 | H13B—C130—H13C | 107.5 |
C44—C43—C42 | 120.9 (5) | C132—C131—C136 | 118.5 (4) |
C44—C43—H43 | 119.5 | C132—C131—C130 | 123.8 (4) |
C42—C43—H43 | 119.5 | C136—C131—C130 | 117.7 (4) |
C43—C44—C45 | 119.9 (5) | C133—C132—C131 | 121.2 (4) |
C43—C44—H44 | 120.1 | C133—C132—H13D | 119.4 |
C45—C44—H44 | 120.1 | C131—C132—H13D | 119.4 |
C44—C45—C46 | 119.8 (5) | C132—C133—C134 | 119.3 (5) |
C44—C45—H45 | 120.1 | C132—C133—H13E | 120.3 |
C46—C45—H45 | 120.1 | C134—C133—H13E | 120.3 |
C41—C46—C45 | 120.7 (4) | C135—C134—C133 | 120.3 (5) |
C41—C46—H46 | 119.7 | C135—C134—H13F | 119.9 |
C45—C46—H46 | 119.7 | C133—C134—H13F | 119.9 |
N3—C47—C48 | 111.6 (4) | C134—C135—C136 | 119.8 (5) |
N3—C47—C49 | 112.5 (3) | C134—C135—H13G | 120.1 |
C48—C47—C49 | 111.5 (3) | C136—C135—H13G | 120.1 |
N3—C47—H47 | 107.0 | C135—C136—C131 | 120.8 (4) |
C48—C47—H47 | 107.0 | C135—C136—H13H | 119.6 |
C49—C47—H47 | 107.0 | C131—C136—H13H | 119.6 |
C47—C48—H48A | 109.5 | N9—C137—C139 | 110.3 (4) |
C47—C48—H48B | 109.5 | N9—C137—C138 | 112.8 (4) |
H48A—C48—H48B | 109.5 | C139—C137—C138 | 111.9 (4) |
C47—C48—H48C | 109.5 | N9—C137—H13I | 107.2 |
H48A—C48—H48C | 109.5 | C139—C137—H13I | 107.2 |
H48B—C48—H48C | 109.5 | C138—C137—H13I | 107.2 |
C47—C49—H49A | 109.5 | C137—C138—H13J | 109.5 |
C47—C49—H49B | 109.5 | C137—C138—H13K | 109.5 |
H49A—C49—H49B | 109.5 | H13J—C138—H13K | 109.5 |
C47—C49—H49C | 109.5 | C137—C138—H13L | 109.5 |
H49A—C49—H49C | 109.5 | H13J—C138—H13L | 109.5 |
H49B—C49—H49C | 109.5 | H13K—C138—H13L | 109.5 |
N4—C50—S8 | 122.0 (3) | C137—C139—H13M | 109.5 |
N4—C50—S7 | 118.0 (3) | C137—C139—H13N | 109.5 |
S8—C50—S7 | 120.0 (2) | H13M—C139—H13N | 109.5 |
N4—C51—C52 | 113.4 (4) | C137—C139—H13O | 109.5 |
N4—C51—H51A | 108.9 | H13M—C139—H13O | 109.5 |
C52—C51—H51A | 108.9 | H13N—C139—H13O | 109.5 |
N4—C51—H51B | 108.9 | N10—C140—S20 | 121.6 (3) |
C52—C51—H51B | 108.9 | N10—C140—S19 | 118.4 (3) |
H51A—C51—H51B | 107.7 | S20—C140—S19 | 120.0 (2) |
C57—C52—C53 | 119.2 (4) | N10—C141—C142 | 115.0 (4) |
C57—C52—C51 | 119.7 (4) | N10—C141—H14B | 108.5 |
C53—C52—C51 | 121.1 (4) | C142—C141—H14B | 108.5 |
C54—C53—C52 | 120.9 (4) | N10—C141—H14C | 108.5 |
C54—C53—H53 | 119.6 | C142—C141—H14C | 108.5 |
C52—C53—H53 | 119.6 | H14B—C141—H14C | 107.5 |
C53—C54—C55 | 119.8 (5) | C143—C142—C147 | 119.0 (5) |
C53—C54—H54 | 120.1 | C143—C142—C141 | 121.5 (4) |
C55—C54—H54 | 120.1 | C147—C142—C141 | 119.5 (5) |
C56—C55—C54 | 119.8 (4) | C144—C143—C142 | 120.8 (5) |
C56—C55—H55 | 120.1 | C144—C143—H14D | 119.6 |
C54—C55—H55 | 120.1 | C142—C143—H14D | 119.6 |
C55—C56—C57 | 120.8 (5) | C143—C144—C145 | 119.4 (6) |
C55—C56—H56 | 119.6 | C143—C144—H14E | 120.3 |
C57—C56—H56 | 119.6 | C145—C144—H14E | 120.3 |
C56—C57—C52 | 119.6 (5) | C146—C145—C144 | 120.5 (6) |
C56—C57—H57 | 120.2 | C146—C145—H14F | 119.7 |
C52—C57—H57 | 120.2 | C144—C145—H14F | 119.7 |
C59—C58—N4 | 111.4 (4) | C145—C146—C147 | 119.9 (6) |
C59—C58—C60 | 111.5 (4) | C145—C146—H14G | 120.0 |
N4—C58—C60 | 112.6 (4) | C147—C146—H14G | 120.0 |
C59—C58—H58 | 107.0 | C146—C147—C142 | 120.4 (6) |
N4—C58—H58 | 107.0 | C146—C147—H14H | 119.8 |
C60—C58—H58 | 107.0 | C142—C147—H14H | 119.8 |
C58—C59—H59A | 109.5 | N10—C148—C149 | 111.1 (4) |
C58—C59—H59B | 109.5 | N10—C148—C150 | 112.0 (4) |
H59A—C59—H59B | 109.5 | C149—C148—C150 | 111.5 (4) |
C58—C59—H59C | 109.5 | N10—C148—H14I | 107.3 |
H59A—C59—H59C | 109.5 | C149—C148—H14I | 107.3 |
H59B—C59—H59C | 109.5 | C150—C148—H14I | 107.3 |
C58—C60—H60A | 109.5 | C148—C149—H14J | 109.5 |
C58—C60—H60B | 109.5 | C148—C149—H14K | 109.5 |
H60A—C60—H60B | 109.5 | H14J—C149—H14K | 109.5 |
C58—C60—H60C | 109.5 | C148—C149—H14L | 109.5 |
H60A—C60—H60C | 109.5 | H14J—C149—H14L | 109.5 |
H60B—C60—H60C | 109.5 | H14K—C149—H14L | 109.5 |
C62—C61—Sn3 | 110.6 (3) | C148—C150—H15B | 109.5 |
C62—C61—H61A | 109.5 | C148—C150—H15C | 109.5 |
Sn3—C61—H61A | 109.5 | H15B—C150—H15C | 109.5 |
C62—C61—H61B | 109.5 | C148—C150—H15D | 109.5 |
Sn3—C61—H61B | 109.5 | H15B—C150—H15D | 109.5 |
H61A—C61—H61B | 108.1 | H15C—C150—H15D | 109.5 |
C1—Sn1—S1—C9 | −73.37 (19) | Sn2—S8—C50—S7 | −6.8 (2) |
C5—Sn1—S1—C9 | 79.05 (19) | Sn2—S7—C50—N4 | −173.3 (3) |
S3—Sn1—S1—C9 | −176.85 (14) | Sn2—S7—C50—S8 | 8.1 (3) |
S2—Sn1—S1—C9 | 3.95 (14) | C50—N4—C51—C52 | −95.9 (5) |
S4—Sn1—S1—C9 | −171.78 (14) | C58—N4—C51—C52 | 81.6 (5) |
C1—Sn1—S2—C9 | 107.59 (18) | N4—C51—C52—C57 | −121.3 (4) |
C5—Sn1—S2—C9 | −123.13 (19) | N4—C51—C52—C53 | 58.8 (5) |
S1—Sn1—S2—C9 | −4.14 (14) | C57—C52—C53—C54 | −0.8 (7) |
S3—Sn1—S2—C9 | −5.53 (17) | C51—C52—C53—C54 | 179.1 (4) |
S4—Sn1—S2—C9 | 170.66 (15) | C52—C53—C54—C55 | 0.3 (7) |
C1—Sn1—S3—C20 | 71.11 (18) | C53—C54—C55—C56 | 0.7 (7) |
C5—Sn1—S3—C20 | −69.23 (17) | C54—C55—C56—C57 | −1.3 (8) |
S1—Sn1—S3—C20 | 177.28 (14) | C55—C56—C57—C52 | 0.9 (8) |
S2—Sn1—S3—C20 | 178.57 (14) | C53—C52—C57—C56 | 0.1 (7) |
S4—Sn1—S3—C20 | 0.64 (13) | C51—C52—C57—C56 | −179.7 (4) |
C1—Sn1—S4—C20 | −113.77 (18) | C50—N4—C58—C59 | 95.1 (5) |
C5—Sn1—S4—C20 | 113.72 (19) | C51—N4—C58—C59 | −82.4 (5) |
S1—Sn1—S4—C20 | −6.23 (16) | C50—N4—C58—C60 | −138.8 (4) |
S3—Sn1—S4—C20 | −0.66 (14) | C51—N4—C58—C60 | 43.7 (5) |
S2—Sn1—S4—C20 | −178.27 (14) | C65—Sn3—C61—C62 | −8.5 (4) |
C35—Sn2—S5—C39 | 71.52 (19) | S11—Sn3—C61—C62 | −135.9 (3) |
C31—Sn2—S5—C39 | −79.40 (19) | S9—Sn3—C61—C62 | 137.4 (3) |
S7—Sn2—S5—C39 | 175.57 (14) | S10—Sn3—C61—C62 | 75.3 (3) |
S6—Sn2—S5—C39 | −4.75 (13) | S12—Sn3—C61—C62 | −77.2 (3) |
S8—Sn2—S5—C39 | 169.74 (14) | Sn3—C61—C62—C63 | −177.2 (3) |
C35—Sn2—S6—C39 | −107.42 (18) | C61—C62—C63—C64 | 173.4 (4) |
C31—Sn2—S6—C39 | 123.70 (18) | C61—Sn3—C65—C66 | 135.0 (4) |
S7—Sn2—S6—C39 | 5.50 (16) | S11—Sn3—C65—C66 | −97.1 (4) |
S5—Sn2—S6—C39 | 4.91 (14) | S9—Sn3—C65—C66 | −9.0 (4) |
S8—Sn2—S6—C39 | −168.85 (14) | S10—Sn3—C65—C66 | 53.3 (4) |
C35—Sn2—S7—C50 | −73.90 (18) | S12—Sn3—C65—C66 | −155.7 (4) |
C31—Sn2—S7—C50 | 66.10 (18) | Sn3—C65—C66—C67 | 178.5 (4) |
S5—Sn2—S7—C50 | 179.45 (14) | C65—C66—C67—C68 | 175.6 (5) |
S6—Sn2—S7—C50 | 178.91 (14) | C70—N5—C69—S10 | 172.8 (3) |
S8—Sn2—S7—C50 | −4.32 (14) | C77—N5—C69—S10 | −1.8 (6) |
C35—Sn2—S8—C50 | 118.22 (18) | C70—N5—C69—S9 | −6.3 (5) |
C31—Sn2—S8—C50 | −109.91 (19) | C77—N5—C69—S9 | 179.1 (3) |
S7—Sn2—S8—C50 | 4.49 (14) | Sn3—S10—C69—N5 | −177.8 (4) |
S5—Sn2—S8—C50 | 10.93 (17) | Sn3—S10—C69—S9 | 1.3 (2) |
S6—Sn2—S8—C50 | −178.94 (15) | Sn3—S9—C69—N5 | 177.7 (3) |
C61—Sn3—S9—C69 | −73.52 (18) | Sn3—S9—C69—S10 | −1.5 (2) |
C65—Sn3—S9—C69 | 76.8 (2) | C69—N5—C70—C71 | 91.3 (5) |
S11—Sn3—S9—C69 | −179.32 (14) | C77—N5—C70—C71 | −94.0 (5) |
S10—Sn3—S9—C69 | 0.82 (14) | N5—C70—C71—C76 | −6.5 (6) |
S12—Sn3—S9—C69 | −174.39 (14) | N5—C70—C71—C72 | 172.7 (4) |
C61—Sn3—S10—C69 | 112.81 (17) | C76—C71—C72—C73 | 1.4 (7) |
C65—Sn3—S10—C69 | −119.68 (19) | C70—C71—C72—C73 | −177.8 (4) |
S11—Sn3—S10—C69 | −1.11 (17) | C71—C72—C73—C74 | 1.0 (8) |
S9—Sn3—S10—C69 | −0.85 (14) | C72—C73—C74—C75 | −2.1 (8) |
S12—Sn3—S10—C69 | 173.90 (15) | C73—C74—C75—C76 | 0.9 (8) |
C61—Sn3—S11—C80 | 71.68 (17) | C72—C71—C76—C75 | −2.5 (7) |
C65—Sn3—S11—C80 | −67.03 (18) | C70—C71—C76—C75 | 176.6 (4) |
S9—Sn3—S11—C80 | 178.83 (14) | C74—C75—C76—C71 | 1.4 (7) |
S10—Sn3—S11—C80 | 179.07 (14) | C69—N5—C77—C78 | −141.1 (4) |
S12—Sn3—S11—C80 | 1.95 (14) | C70—N5—C77—C78 | 44.1 (6) |
C61—Sn3—S12—C80 | −117.07 (17) | C69—N5—C77—C79 | 93.2 (5) |
C65—Sn3—S12—C80 | 112.1 (2) | C70—N5—C77—C79 | −81.6 (5) |
S11—Sn3—S12—C80 | −2.06 (14) | C81—N6—C80—S12 | −179.7 (3) |
S9—Sn3—S12—C80 | −7.49 (17) | C88—N6—C80—S12 | 3.4 (6) |
S10—Sn3—S12—C80 | −179.06 (14) | C81—N6—C80—S11 | −1.0 (5) |
C95—Sn4—S13—C99 | −82.6 (2) | C88—N6—C80—S11 | −177.9 (3) |
C91—Sn4—S13—C99 | 75.43 (18) | Sn3—S12—C80—N6 | −178.3 (4) |
S15—Sn4—S13—C99 | 176.16 (15) | Sn3—S12—C80—S11 | 3.1 (2) |
S14—Sn4—S13—C99 | −1.58 (15) | Sn3—S11—C80—N6 | 177.7 (3) |
S16—Sn4—S13—C99 | 171.58 (15) | Sn3—S11—C80—S12 | −3.6 (3) |
C95—Sn4—S14—C99 | 113.8 (2) | C80—N6—C81—C82 | 98.3 (5) |
C91—Sn4—S14—C99 | −109.15 (18) | C88—N6—C81—C82 | −84.7 (5) |
S15—Sn4—S14—C99 | −2.68 (18) | N6—C81—C82—C87 | −47.6 (5) |
S13—Sn4—S14—C99 | 1.63 (15) | N6—C81—C82—C83 | 131.7 (4) |
S16—Sn4—S14—C99 | −171.43 (16) | C87—C82—C83—C84 | −0.5 (7) |
C95—Sn4—S15—C110 | 71.6 (2) | C81—C82—C83—C84 | −179.9 (5) |
C91—Sn4—S15—C110 | −73.36 (19) | C82—C83—C84—C85 | −1.3 (8) |
S13—Sn4—S15—C110 | −179.18 (16) | C83—C84—C85—C86 | 2.2 (8) |
S14—Sn4—S15—C110 | −175.20 (16) | C84—C85—C86—C87 | −1.1 (8) |
S16—Sn4—S15—C110 | −2.00 (16) | C85—C86—C87—C82 | −0.8 (7) |
C95—Sn4—S16—C110 | −107.1 (2) | C83—C82—C87—C86 | 1.6 (6) |
C91—Sn4—S16—C110 | 111.66 (19) | C81—C82—C87—C86 | −179.1 (4) |
S15—Sn4—S16—C110 | 2.04 (16) | C80—N6—C88—C89 | 90.4 (5) |
S13—Sn4—S16—C110 | 7.10 (19) | C81—N6—C88—C89 | −86.7 (5) |
S14—Sn4—S16—C110 | 175.58 (16) | C80—N6—C88—C90 | −142.9 (5) |
C121—Sn5—S17—C129 | 83.08 (19) | C81—N6—C88—C90 | 40.0 (6) |
C125—Sn5—S17—C129 | −76.53 (17) | C95—Sn4—C91—C92 | 10.2 (4) |
S19—Sn5—S17—C129 | −177.44 (13) | S15—Sn4—C91—C92 | 135.4 (3) |
S18—Sn5—S17—C129 | 0.25 (13) | S13—Sn4—C91—C92 | −138.8 (3) |
S20—Sn5—S17—C129 | −175.41 (13) | S14—Sn4—C91—C92 | −75.3 (3) |
C121—Sn5—S18—C129 | −112.0 (2) | S16—Sn4—C91—C92 | 75.3 (3) |
C125—Sn5—S18—C129 | 112.39 (16) | Sn4—C91—C92—C93 | −177.8 (3) |
S17—Sn5—S18—C129 | −0.26 (13) | C91—C92—C93—C94 | −175.2 (4) |
S19—Sn5—S18—C129 | 4.07 (16) | C91—Sn4—C95—C96 | −148.1 (8) |
S20—Sn5—S18—C129 | 175.06 (14) | S15—Sn4—C95—C96 | 87.0 (8) |
C121—Sn5—S19—C140 | −66.83 (19) | S13—Sn4—C95—C96 | 0.2 (9) |
C125—Sn5—S19—C140 | 75.87 (17) | S14—Sn4—C95—C96 | −64.5 (8) |
S17—Sn5—S19—C140 | −176.42 (14) | S16—Sn4—C95—C96 | 147.7 (8) |
S18—Sn5—S19—C140 | 179.58 (14) | C91—Sn4—C95—C96' | −127.6 (7) |
S20—Sn5—S19—C140 | 4.87 (14) | S15—Sn4—C95—C96' | 107.5 (7) |
C121—Sn5—S20—C140 | 103.8 (2) | S13—Sn4—C95—C96' | 20.7 (7) |
C125—Sn5—S20—C140 | −115.32 (17) | S14—Sn4—C95—C96' | −44.0 (7) |
S17—Sn5—S20—C140 | −7.27 (16) | S16—Sn4—C95—C96' | 168.2 (7) |
S19—Sn5—S20—C140 | −5.02 (14) | C96'—C95—C96—C97 | 113 (2) |
S18—Sn5—S20—C140 | −179.72 (15) | Sn4—C95—C96—C97 | 173.1 (6) |
C5—Sn1—C1—C2' | 4.1 (5) | C95—C96—C97—C98 | 175.7 (10) |
S1—Sn1—C1—C2' | 151.4 (4) | C96—C95—C96'—C97' | −30.9 (12) |
S3—Sn1—C1—C2' | −124.2 (4) | Sn4—C95—C96'—C97' | −161.4 (9) |
S2—Sn1—C1—C2' | 88.5 (4) | C95—C96'—C97'—C98' | −67.2 (15) |
S4—Sn1—C1—C2' | −65.2 (4) | C100—N7—C99—S14 | 178.6 (3) |
C5—Sn1—C1—C2 | −14.4 (5) | C107—N7—C99—S14 | −1.9 (6) |
S1—Sn1—C1—C2 | 133.0 (4) | C100—N7—C99—S13 | −5.5 (6) |
S3—Sn1—C1—C2 | −142.6 (4) | C107—N7—C99—S13 | 174.0 (3) |
S2—Sn1—C1—C2 | 70.0 (4) | Sn4—S14—C99—N7 | 173.5 (4) |
S4—Sn1—C1—C2 | −83.7 (4) | Sn4—S14—C99—S13 | −2.5 (2) |
C2'—C1—C2—C3 | 34.8 (8) | Sn4—S13—C99—N7 | −173.4 (3) |
Sn1—C1—C2—C3 | −174.5 (6) | Sn4—S13—C99—S14 | 2.7 (3) |
C1—C2—C3—C4 | 177.9 (9) | C99—N7—C100—C101 | −79.8 (5) |
C2—C1—C2'—C3' | −36.6 (8) | C107—N7—C100—C101 | 100.7 (5) |
Sn1—C1—C2'—C3' | −74.0 (8) | N7—C100—C101—C102 | 179.1 (4) |
C1—C2'—C3'—C4' | −176.0 (9) | N7—C100—C101—C106 | −0.8 (6) |
C1—Sn1—C5—C6 | 144.7 (4) | C106—C101—C102—C103 | 0.0 (7) |
S1—Sn1—C5—C6 | −0.8 (4) | C100—C101—C102—C103 | −179.8 (4) |
S3—Sn1—C5—C6 | −87.5 (4) | C101—C102—C103—C104 | −0.7 (7) |
S2—Sn1—C5—C6 | 61.0 (4) | C102—C103—C104—C105 | −0.1 (8) |
S4—Sn1—C5—C6 | −146.0 (4) | C103—C104—C105—C106 | 1.5 (8) |
Sn1—C5—C6—C7 | 179.6 (3) | C104—C105—C106—C101 | −2.1 (7) |
C5—C6—C7—C8 | −178.3 (5) | C102—C101—C106—C105 | 1.4 (7) |
C10—N1—C9—S2 | −177.6 (3) | C100—C101—C106—C105 | −178.8 (4) |
C17—N1—C9—S2 | 1.6 (6) | C99—N7—C107—C108 | 101.5 (5) |
C10—N1—C9—S1 | 3.9 (5) | C100—N7—C107—C108 | −79.0 (5) |
C17—N1—C9—S1 | −177.0 (3) | C99—N7—C107—C109 | −134.2 (5) |
Sn1—S2—C9—N1 | −172.4 (4) | C100—N7—C107—C109 | 45.4 (6) |
Sn1—S2—C9—S1 | 6.2 (2) | C111—N8—C110—S16 | 173.2 (3) |
Sn1—S1—C9—N1 | 171.6 (3) | C118—N8—C110—S16 | −5.3 (6) |
Sn1—S1—C9—S2 | −7.0 (2) | C111—N8—C110—S15 | −4.7 (6) |
C9—N1—C10—C11 | 87.1 (5) | C118—N8—C110—S15 | 176.7 (3) |
C17—N1—C10—C11 | −92.0 (5) | Sn4—S16—C110—N8 | 178.9 (4) |
N1—C10—C11—C16 | −14.6 (6) | Sn4—S16—C110—S15 | −3.1 (2) |
N1—C10—C11—C12 | 166.8 (4) | Sn4—S15—C110—N8 | −178.3 (3) |
C16—C11—C12—C13 | 1.5 (7) | Sn4—S15—C110—S16 | 3.6 (3) |
C10—C11—C12—C13 | −179.9 (4) | C110—N8—C111—C112 | −97.7 (5) |
C11—C12—C13—C14 | −0.5 (8) | C118—N8—C111—C112 | 80.9 (5) |
C12—C13—C14—C15 | −0.1 (8) | N8—C111—C112—C113 | −122.4 (5) |
C13—C14—C15—C16 | −0.2 (8) | N8—C111—C112—C117 | 59.3 (6) |
C12—C11—C16—C15 | −1.8 (7) | C117—C112—C113—C114 | 1.2 (8) |
C10—C11—C16—C15 | 179.6 (4) | C111—C112—C113—C114 | −177.2 (5) |
C14—C15—C16—C11 | 1.2 (7) | C112—C113—C114—C115 | −0.1 (10) |
C9—N1—C17—C19 | −93.1 (5) | C113—C114—C115—C116 | −0.8 (9) |
C10—N1—C17—C19 | 86.0 (5) | C114—C115—C116—C117 | 0.6 (8) |
C9—N1—C17—C18 | 141.9 (4) | C115—C116—C117—C112 | 0.5 (7) |
C10—N1—C17—C18 | −38.9 (5) | C113—C112—C117—C116 | −1.4 (7) |
C21—N2—C20—S4 | 179.3 (3) | C111—C112—C117—C116 | 177.0 (4) |
C28—N2—C20—S4 | 3.6 (5) | C110—N8—C118—C119 | 95.9 (6) |
C21—N2—C20—S3 | −1.1 (5) | C111—N8—C118—C119 | −82.7 (6) |
C28—N2—C20—S3 | −176.9 (3) | C110—N8—C118—C120 | −139.8 (5) |
Sn1—S4—C20—N2 | −179.5 (3) | C111—N8—C118—C120 | 41.6 (6) |
Sn1—S4—C20—S3 | 1.0 (2) | C125—Sn5—C121—C122 | 115.7 (4) |
Sn1—S3—C20—N2 | 179.3 (3) | S17—Sn5—C121—C122 | −36.2 (5) |
Sn1—S3—C20—S4 | −1.2 (2) | S19—Sn5—C121—C122 | −121.9 (4) |
C20—N2—C21—C22 | 98.0 (4) | S18—Sn5—C121—C122 | 29.1 (4) |
C28—N2—C21—C22 | −86.1 (4) | S20—Sn5—C121—C122 | 178.3 (4) |
N2—C21—C22—C27 | 133.3 (4) | Sn5—C121—C122—C123 | 172.0 (4) |
N2—C21—C22—C23 | −46.4 (5) | C121—C122—C123—C124 | 172.3 (5) |
C27—C22—C23—C24 | 0.8 (6) | C121—Sn5—C125—C126 | −13.6 (4) |
C21—C22—C23—C24 | −179.5 (4) | S17—Sn5—C125—C126 | 138.6 (3) |
C22—C23—C24—C25 | −0.3 (6) | S19—Sn5—C125—C126 | −135.6 (3) |
C23—C24—C25—C26 | −1.2 (7) | S18—Sn5—C125—C126 | 75.3 (3) |
C24—C25—C26—C27 | 2.2 (7) | S20—Sn5—C125—C126 | −76.2 (3) |
C25—C26—C27—C22 | −1.7 (7) | Sn5—C125—C126—C127 | 176.8 (3) |
C23—C22—C27—C26 | 0.2 (6) | C125—C126—C127—C128 | 173.0 (4) |
C21—C22—C27—C26 | −179.5 (4) | C130—N9—C129—S18 | 172.9 (3) |
C20—N2—C28—C30 | 94.9 (5) | C137—N9—C129—S18 | −0.9 (5) |
C21—N2—C28—C30 | −81.1 (5) | C130—N9—C129—S17 | −6.2 (5) |
C20—N2—C28—C29 | −138.1 (5) | C137—N9—C129—S17 | −179.9 (3) |
C21—N2—C28—C29 | 45.9 (6) | Sn5—S18—C129—N9 | −178.7 (3) |
C35—Sn2—C31—C32 | −150.6 (3) | Sn5—S18—C129—S17 | 0.4 (2) |
S7—Sn2—C31—C32 | 81.4 (3) | Sn5—S17—C129—N9 | 178.7 (3) |
S5—Sn2—C31—C32 | −6.7 (4) | Sn5—S17—C129—S18 | −0.4 (2) |
S6—Sn2—C31—C32 | −68.5 (3) | C129—N9—C130—C131 | 89.8 (5) |
S8—Sn2—C31—C32 | 140.1 (4) | C137—N9—C130—C131 | −96.3 (4) |
Sn2—C31—C32—C33 | 177.5 (3) | N9—C130—C131—C132 | −2.4 (6) |
C31—C32—C33—C34 | 175.0 (5) | N9—C130—C131—C136 | 177.2 (3) |
C31—Sn2—C35—C36 | 10.0 (4) | C136—C131—C132—C133 | −1.8 (7) |
S7—Sn2—C35—C36 | 138.4 (3) | C130—C131—C132—C133 | 177.9 (4) |
S5—Sn2—C35—C36 | −135.8 (3) | C131—C132—C133—C134 | 1.3 (7) |
S6—Sn2—C35—C36 | −72.9 (3) | C132—C133—C134—C135 | 0.6 (7) |
S8—Sn2—C35—C36 | 79.9 (3) | C133—C134—C135—C136 | −1.8 (7) |
Sn2—C35—C36—C37 | 178.2 (4) | C134—C135—C136—C131 | 1.3 (7) |
C35—C36—C37—C38 | −171.6 (5) | C132—C131—C136—C135 | 0.5 (6) |
C40—N3—C39—S6 | 176.9 (3) | C130—C131—C136—C135 | −179.2 (4) |
C47—N3—C39—S6 | −3.2 (5) | C129—N9—C137—C139 | 89.8 (5) |
C40—N3—C39—S5 | −4.0 (5) | C130—N9—C137—C139 | −84.2 (5) |
C47—N3—C39—S5 | 175.9 (3) | C129—N9—C137—C138 | −144.2 (4) |
Sn2—S6—C39—N3 | 171.7 (4) | C130—N9—C137—C138 | 41.8 (5) |
Sn2—S6—C39—S5 | −7.4 (2) | C141—N10—C140—S20 | −172.6 (3) |
Sn2—S5—C39—N3 | −170.8 (3) | C148—N10—C140—S20 | 7.0 (6) |
Sn2—S5—C39—S6 | 8.3 (2) | C141—N10—C140—S19 | 4.9 (6) |
C39—N3—C40—C41 | −81.4 (5) | C148—N10—C140—S19 | −175.5 (3) |
C47—N3—C40—C41 | 98.8 (4) | Sn5—S20—C140—N10 | −174.9 (4) |
N3—C40—C41—C46 | 3.8 (6) | Sn5—S20—C140—S19 | 7.7 (2) |
N3—C40—C41—C42 | −175.9 (4) | Sn5—S19—C140—N10 | 173.4 (3) |
C46—C41—C42—C43 | 0.8 (7) | Sn5—S19—C140—S20 | −9.0 (3) |
C40—C41—C42—C43 | −179.5 (4) | C140—N10—C141—C142 | 96.5 (5) |
C41—C42—C43—C44 | −1.7 (8) | C148—N10—C141—C142 | −83.2 (5) |
C42—C43—C44—C45 | 1.5 (8) | N10—C141—C142—C143 | −58.8 (6) |
C43—C44—C45—C46 | −0.5 (8) | N10—C141—C142—C147 | 124.4 (5) |
C42—C41—C46—C45 | 0.2 (7) | C147—C142—C143—C144 | 0.9 (7) |
C40—C41—C46—C45 | −179.5 (4) | C141—C142—C143—C144 | −175.9 (4) |
C44—C45—C46—C41 | −0.4 (8) | C142—C143—C144—C145 | −0.9 (8) |
C39—N3—C47—C48 | 94.4 (5) | C143—C144—C145—C146 | −0.2 (9) |
C40—N3—C47—C48 | −85.8 (4) | C144—C145—C146—C147 | 1.4 (11) |
C39—N3—C47—C49 | −139.4 (4) | C145—C146—C147—C142 | −1.4 (10) |
C40—N3—C47—C49 | 40.4 (5) | C143—C142—C147—C146 | 0.2 (8) |
C51—N4—C50—S8 | 170.1 (3) | C141—C142—C147—C146 | 177.1 (5) |
C58—N4—C50—S8 | −7.3 (6) | C140—N10—C148—C149 | −98.4 (5) |
C51—N4—C50—S7 | −8.5 (5) | C141—N10—C148—C149 | 81.2 (5) |
C58—N4—C50—S7 | 174.1 (3) | C140—N10—C148—C150 | 136.1 (4) |
Sn2—S8—C50—N4 | 174.7 (4) | C141—N10—C148—C150 | −44.2 (6) |
Experimental details
Crystal data | |
Chemical formula | [Sn(C4H9)2(C11H14NS2)2] |
Mr | 681.62 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 123 |
a, b, c (Å) | 17.7745 (2), 19.5463 (3), 26.2062 (4) |
α, β, γ (°) | 102.5254 (7), 95.1492 (7), 110.2569 (8) |
V (Å3) | 8202.1 (2) |
Z | 10 |
Radiation type | Mo Kα |
µ (mm−1) | 1.06 |
Crystal size (mm) | 0.30 × 0.30 × 0.10 |
Data collection | |
Diffractometer | Bruker SMART APEX diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.743, 0.902 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 67722, 36923, 23409 |
Rint | 0.028 |
(sin θ/λ)max (Å−1) | 0.650 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.046, 0.139, 1.15 |
No. of reflections | 36923 |
No. of parameters | 1684 |
No. of restraints | 96 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 2.53, −1.45 |
Computer programs: APEX2 (Bruker, 2008), SAINT (Bruker, 2008), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2009).
Acknowledgements
We thank Universiti Kebangsaan Malaysia and the University of Malaya for supporting this study.
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