Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806003576/ci6751sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806003576/ci6751Isup2.hkl |
CCDC reference: 601143
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); 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: WinGX (Farrugia, 1999).
[W(C26H21N3S2)(CO)5] | Z = 2 |
Mr = 763.48 | F(000) = 748 |
Triclinic, P1 | Dx = 1.706 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.6767 (2) Å | Cell parameters from 5729 reflections |
b = 11.9258 (2) Å | θ = 2.4–29.3° |
c = 13.0623 (2) Å | µ = 4.07 mm−1 |
α = 89.606 (1)° | T = 100 K |
β = 86.660 (1)° | Prism, red |
γ = 63.538 (1)° | 0.14 × 0.12 × 0.1 mm |
V = 1486.08 (5) Å3 |
Bruker SMART CCD area-detector diffractometer | 5246 independent reflections |
Radiation source: fine-focus sealed tube | 4528 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.035 |
φ and ω scans | θmax = 25.0°, θmin = 1.6° |
Absorption correction: multi-scan (SADABS; Bruker, 2001) | h = −12→12 |
Tmin = 0.510, Tmax = 0.666 | k = −13→14 |
10804 measured reflections | l = −13→15 |
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)] = 0.022 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.040 | H-atom parameters constrained |
S = 0.88 | w = 1/[σ2(Fo2) + (0.0123P)2] where P = (Fo2 + 2Fc2)/3 |
5246 reflections | (Δ/σ)max = 0.001 |
379 parameters | Δρmax = 0.95 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 | ||
W | 0.099984 (15) | 0.695548 (14) | 0.080957 (10) | 0.01943 (5) | |
S1 | 0.49446 (9) | 0.27472 (8) | 0.73272 (6) | 0.0244 (2) | |
S2 | 0.66226 (9) | 0.04136 (8) | 1.12411 (6) | 0.0250 (2) | |
O1 | 0.1694 (2) | 0.4280 (2) | −0.01014 (17) | 0.0334 (6) | |
O2 | 0.0169 (3) | 0.9749 (2) | 0.15680 (19) | 0.0396 (7) | |
O3 | −0.1780 (2) | 0.7139 (2) | 0.20124 (17) | 0.0319 (6) | |
O4 | 0.3595 (2) | 0.6689 (2) | −0.06481 (17) | 0.0341 (6) | |
O5 | −0.0881 (2) | 0.8146 (2) | −0.10227 (17) | 0.0322 (6) | |
N6 | 0.2346 (3) | 0.5977 (2) | 0.21128 (19) | 0.0210 (6) | |
N25 | 0.7728 (3) | −0.0572 (2) | 1.33284 (18) | 0.0227 (7) | |
N32 | 1.0467 (3) | −0.3345 (3) | 1.6694 (2) | 0.0459 (9) | |
C1 | 0.1426 (3) | 0.5249 (3) | 0.0250 (2) | 0.0245 (8) | |
C2 | 0.0511 (3) | 0.8736 (4) | 0.1334 (3) | 0.0271 (9) | |
C3 | −0.0756 (4) | 0.7067 (3) | 0.1617 (2) | 0.0233 (8) | |
C4 | 0.2675 (4) | 0.6821 (3) | −0.0087 (2) | 0.0229 (8) | |
C5 | −0.0179 (3) | 0.7714 (3) | −0.0333 (3) | 0.0233 (8) | |
C7 | 0.3571 (3) | 0.4940 (3) | 0.1951 (2) | 0.0235 (8) | |
H7 | 0.3919 | 0.4709 | 0.1276 | 0.028* | |
C8 | 0.4342 (3) | 0.4198 (3) | 0.2715 (2) | 0.0237 (8) | |
H8 | 0.5184 | 0.3494 | 0.2554 | 0.028* | |
C9 | 0.3845 (3) | 0.4516 (3) | 0.3735 (2) | 0.0239 (8) | |
C10 | 0.2611 (4) | 0.5606 (3) | 0.3911 (2) | 0.0346 (10) | |
H10 | 0.2262 | 0.5871 | 0.4581 | 0.042* | |
C11 | 0.1900 (4) | 0.6295 (3) | 0.3108 (2) | 0.0312 (9) | |
H11 | 0.1071 | 0.7017 | 0.3254 | 0.037* | |
C12 | 0.4556 (3) | 0.3751 (3) | 0.4562 (2) | 0.0257 (8) | |
C13 | 0.5095 (4) | 0.3109 (3) | 0.5263 (2) | 0.0252 (8) | |
C14 | 0.5711 (3) | 0.2340 (3) | 0.6092 (2) | 0.0228 (8) | |
C15 | 0.6905 (3) | 0.1223 (3) | 0.6086 (2) | 0.0254 (8) | |
H15 | 0.7459 | 0.0844 | 0.5494 | 0.030* | |
C16 | 0.7205 (3) | 0.0714 (3) | 0.7059 (2) | 0.0251 (8) | |
H16 | 0.7990 | −0.0030 | 0.7180 | 0.030* | |
C17 | 0.6228 (3) | 0.1416 (3) | 0.7820 (2) | 0.0205 (8) | |
C18 | 0.6206 (3) | 0.1111 (3) | 0.8894 (2) | 0.0216 (8) | |
H18 | 0.7028 | 0.0487 | 0.9129 | 0.026* | |
C19 | 0.5115 (3) | 0.1643 (3) | 0.9578 (2) | 0.0208 (8) | |
H19 | 0.4287 | 0.2257 | 0.9342 | 0.025* | |
C20 | 0.5110 (3) | 0.1348 (3) | 1.0645 (2) | 0.0216 (8) | |
C21 | 0.3962 (3) | 0.1747 (3) | 1.1331 (2) | 0.0239 (8) | |
H21 | 0.3055 | 0.2277 | 1.1160 | 0.029* | |
C22 | 0.4297 (3) | 0.1276 (3) | 1.2314 (2) | 0.0244 (8) | |
H22 | 0.3628 | 0.1442 | 1.2854 | 0.029* | |
C23 | 0.5691 (3) | 0.0551 (3) | 1.2406 (2) | 0.0212 (8) | |
C24 | 0.6403 (4) | −0.0076 (3) | 1.3292 (2) | 0.0233 (8) | |
H24 | 0.5870 | −0.0121 | 1.3866 | 0.028* | |
C26 | 0.8354 (3) | −0.1265 (3) | 1.4186 (2) | 0.0217 (8) | |
C27 | 0.9522 (3) | −0.1188 (3) | 1.4538 (2) | 0.0258 (8) | |
H27 | 0.9862 | −0.0686 | 1.4192 | 0.031* | |
C28 | 1.0194 (4) | −0.1835 (3) | 1.5385 (2) | 0.0273 (8) | |
H28 | 1.0936 | −0.1723 | 1.5621 | 0.033* | |
C29 | 0.9764 (4) | −0.2657 (3) | 1.5887 (2) | 0.0298 (9) | |
C30 | 0.8619 (4) | −0.2773 (3) | 1.5506 (2) | 0.0289 (9) | |
H30 | 0.8322 | −0.3327 | 1.5813 | 0.035* | |
C31 | 0.7933 (3) | −0.2087 (3) | 1.4693 (2) | 0.0264 (8) | |
H31 | 0.7166 | −0.2171 | 1.4473 | 0.032* | |
C33 | 1.1664 (4) | −0.3215 (4) | 1.7061 (3) | 0.0472 (11) | |
H33A | 1.2023 | −0.3759 | 1.7628 | 0.071* | |
H33B | 1.1371 | −0.2363 | 1.7279 | 0.071* | |
H33C | 1.2383 | −0.3437 | 1.6517 | 0.071* | |
C34 | 1.0000 (5) | −0.4187 (4) | 1.7198 (3) | 0.0532 (12) | |
H34A | 1.0593 | −0.4593 | 1.7745 | 0.080* | |
H34B | 1.0045 | −0.4805 | 1.6712 | 0.080* | |
H34C | 0.9051 | −0.3720 | 1.7471 | 0.080* |
U11 | U22 | U33 | U12 | U13 | U23 | |
W | 0.01467 (8) | 0.01841 (8) | 0.02407 (8) | −0.00646 (6) | −0.00016 (5) | −0.00066 (5) |
S1 | 0.0204 (5) | 0.0257 (5) | 0.0217 (4) | −0.0059 (4) | 0.0009 (4) | 0.0023 (4) |
S2 | 0.0196 (5) | 0.0278 (5) | 0.0235 (5) | −0.0072 (4) | 0.0006 (4) | 0.0063 (4) |
O1 | 0.0241 (15) | 0.0270 (16) | 0.0460 (16) | −0.0078 (13) | −0.0067 (12) | −0.0095 (13) |
O2 | 0.0268 (16) | 0.0241 (16) | 0.0679 (19) | −0.0117 (13) | 0.0018 (13) | −0.0092 (14) |
O3 | 0.0270 (16) | 0.0339 (16) | 0.0356 (14) | −0.0156 (13) | 0.0095 (12) | −0.0078 (12) |
O4 | 0.0281 (16) | 0.0383 (17) | 0.0373 (15) | −0.0173 (14) | 0.0107 (12) | −0.0058 (12) |
O5 | 0.0242 (15) | 0.0327 (16) | 0.0399 (16) | −0.0121 (12) | −0.0098 (12) | 0.0119 (13) |
N6 | 0.0164 (16) | 0.0177 (16) | 0.0274 (16) | −0.0064 (14) | 0.0002 (12) | −0.0042 (12) |
N25 | 0.0251 (18) | 0.0202 (17) | 0.0208 (15) | −0.0083 (14) | −0.0007 (12) | 0.0016 (12) |
N32 | 0.058 (2) | 0.047 (2) | 0.041 (2) | −0.028 (2) | −0.0217 (17) | 0.0168 (17) |
C1 | 0.016 (2) | 0.031 (2) | 0.026 (2) | −0.0096 (18) | −0.0039 (15) | 0.0013 (17) |
C2 | 0.015 (2) | 0.028 (2) | 0.037 (2) | −0.0088 (18) | 0.0024 (16) | 0.0000 (18) |
C3 | 0.030 (2) | 0.018 (2) | 0.0213 (19) | −0.0098 (18) | −0.0042 (16) | −0.0012 (15) |
C4 | 0.022 (2) | 0.019 (2) | 0.0262 (19) | −0.0074 (17) | −0.0048 (16) | −0.0015 (15) |
C5 | 0.018 (2) | 0.018 (2) | 0.033 (2) | −0.0085 (17) | 0.0105 (16) | −0.0056 (16) |
C7 | 0.019 (2) | 0.027 (2) | 0.0230 (18) | −0.0084 (17) | 0.0012 (15) | 0.0006 (15) |
C8 | 0.019 (2) | 0.022 (2) | 0.0258 (19) | −0.0054 (17) | 0.0017 (15) | −0.0027 (15) |
C9 | 0.023 (2) | 0.029 (2) | 0.0234 (19) | −0.0152 (18) | −0.0037 (15) | 0.0009 (15) |
C10 | 0.029 (2) | 0.042 (3) | 0.0202 (19) | −0.005 (2) | 0.0008 (16) | −0.0098 (17) |
C11 | 0.022 (2) | 0.033 (2) | 0.027 (2) | −0.0009 (18) | 0.0000 (16) | −0.0117 (17) |
C12 | 0.022 (2) | 0.031 (2) | 0.0231 (19) | −0.0123 (18) | 0.0050 (15) | −0.0065 (17) |
C13 | 0.024 (2) | 0.033 (2) | 0.0218 (19) | −0.0157 (18) | 0.0035 (15) | −0.0049 (17) |
C14 | 0.022 (2) | 0.030 (2) | 0.0216 (18) | −0.0162 (18) | 0.0001 (14) | −0.0003 (15) |
C15 | 0.024 (2) | 0.026 (2) | 0.0275 (19) | −0.0137 (18) | 0.0062 (15) | −0.0054 (16) |
C16 | 0.020 (2) | 0.019 (2) | 0.033 (2) | −0.0054 (17) | 0.0010 (15) | −0.0022 (16) |
C17 | 0.0139 (19) | 0.022 (2) | 0.0272 (19) | −0.0093 (16) | −0.0033 (14) | 0.0028 (15) |
C18 | 0.0167 (19) | 0.019 (2) | 0.0266 (19) | −0.0047 (16) | −0.0074 (15) | 0.0038 (15) |
C19 | 0.0192 (19) | 0.0184 (19) | 0.0259 (18) | −0.0090 (16) | −0.0036 (15) | 0.0030 (15) |
C20 | 0.019 (2) | 0.018 (2) | 0.0293 (19) | −0.0101 (16) | −0.0031 (15) | 0.0036 (15) |
C21 | 0.018 (2) | 0.021 (2) | 0.032 (2) | −0.0079 (17) | −0.0033 (15) | 0.0011 (16) |
C22 | 0.025 (2) | 0.021 (2) | 0.0263 (19) | −0.0101 (17) | 0.0049 (15) | −0.0018 (15) |
C23 | 0.024 (2) | 0.019 (2) | 0.0207 (18) | −0.0100 (17) | 0.0016 (14) | 0.0010 (14) |
C24 | 0.030 (2) | 0.020 (2) | 0.0196 (18) | −0.0108 (18) | 0.0041 (15) | 0.0003 (15) |
C26 | 0.021 (2) | 0.018 (2) | 0.0200 (18) | −0.0045 (17) | 0.0042 (14) | −0.0032 (14) |
C27 | 0.029 (2) | 0.022 (2) | 0.0273 (19) | −0.0126 (18) | 0.0084 (16) | −0.0061 (16) |
C28 | 0.024 (2) | 0.023 (2) | 0.032 (2) | −0.0077 (18) | 0.0033 (16) | −0.0059 (16) |
C29 | 0.034 (2) | 0.024 (2) | 0.0240 (19) | −0.0066 (19) | −0.0009 (16) | −0.0033 (16) |
C30 | 0.034 (2) | 0.027 (2) | 0.026 (2) | −0.0145 (19) | 0.0025 (16) | 0.0028 (16) |
C31 | 0.024 (2) | 0.028 (2) | 0.0269 (19) | −0.0115 (18) | 0.0017 (15) | −0.0018 (16) |
C33 | 0.046 (3) | 0.068 (3) | 0.031 (2) | −0.027 (3) | −0.0139 (19) | 0.003 (2) |
C34 | 0.087 (4) | 0.039 (3) | 0.037 (2) | −0.029 (3) | −0.020 (2) | 0.017 (2) |
W—C5 | 1.953 (4) | C14—C15 | 1.372 (4) |
W—C1 | 2.010 (4) | C15—C16 | 1.396 (4) |
W—C4 | 2.025 (3) | C15—H15 | 0.93 |
W—C3 | 2.048 (4) | C16—C17 | 1.375 (4) |
W—C2 | 2.059 (4) | C16—H16 | 0.93 |
W—N6 | 2.256 (3) | C17—C18 | 1.448 (4) |
S1—C17 | 1.721 (3) | C18—C19 | 1.336 (4) |
S1—C14 | 1.736 (3) | C18—H18 | 0.93 |
S2—C20 | 1.729 (3) | C19—C20 | 1.435 (4) |
S2—C23 | 1.736 (3) | C19—H19 | 0.93 |
O1—C1 | 1.151 (4) | C20—C21 | 1.375 (4) |
O2—C2 | 1.134 (4) | C21—C22 | 1.398 (4) |
O3—C3 | 1.148 (4) | C21—H21 | 0.93 |
O4—C4 | 1.143 (3) | C22—C23 | 1.360 (4) |
O5—C5 | 1.169 (4) | C22—H22 | 0.93 |
N6—C7 | 1.347 (4) | C23—C24 | 1.436 (4) |
N6—C11 | 1.355 (4) | C24—H24 | 0.93 |
N25—C24 | 1.272 (4) | C26—C27 | 1.394 (4) |
N25—C26 | 1.402 (4) | C26—C31 | 1.397 (4) |
N32—C29 | 1.370 (4) | C27—C28 | 1.386 (4) |
N32—C34 | 1.446 (5) | C27—H27 | 0.93 |
N32—C33 | 1.461 (5) | C28—C29 | 1.400 (5) |
C7—C8 | 1.375 (4) | C28—H28 | 0.93 |
C7—H7 | 0.93 | C29—C30 | 1.409 (5) |
C8—C9 | 1.394 (4) | C30—C31 | 1.370 (4) |
C8—H8 | 0.93 | C30—H30 | 0.93 |
C9—C10 | 1.386 (4) | C31—H31 | 0.93 |
C9—C12 | 1.428 (5) | C33—H33A | 0.96 |
C10—C11 | 1.370 (4) | C33—H33B | 0.96 |
C10—H10 | 0.93 | C33—H33C | 0.96 |
C11—H11 | 0.93 | C34—H34A | 0.96 |
C12—C13 | 1.190 (4) | C34—H34B | 0.96 |
C13—C14 | 1.406 (4) | C34—H34C | 0.96 |
C5—W—C1 | 89.52 (13) | C16—C17—C18 | 126.9 (3) |
C5—W—C4 | 88.73 (12) | C16—C17—S1 | 110.7 (2) |
C1—W—C4 | 86.45 (13) | C18—C17—S1 | 122.5 (2) |
C5—W—C3 | 87.63 (13) | C19—C18—C17 | 126.1 (3) |
C1—W—C3 | 91.04 (13) | C19—C18—H18 | 117.0 |
C4—W—C3 | 175.60 (13) | C17—C18—H18 | 117.0 |
C5—W—C2 | 88.13 (13) | C18—C19—C20 | 125.7 (3) |
C1—W—C2 | 177.65 (14) | C18—C19—H19 | 117.1 |
C4—W—C2 | 93.54 (13) | C20—C19—H19 | 117.1 |
C3—W—C2 | 88.82 (13) | C21—C20—C19 | 126.8 (3) |
C5—W—N6 | 176.66 (12) | C21—C20—S2 | 110.6 (2) |
C1—W—N6 | 87.36 (11) | C19—C20—S2 | 122.6 (2) |
C4—W—N6 | 92.27 (11) | C20—C21—C22 | 113.2 (3) |
C3—W—N6 | 91.23 (11) | C20—C21—H21 | 123.4 |
C2—W—N6 | 94.99 (12) | C22—C21—H21 | 123.4 |
C17—S1—C14 | 92.01 (15) | C23—C22—C21 | 113.8 (3) |
C20—S2—C23 | 91.81 (15) | C23—C22—H22 | 123.1 |
C7—N6—C11 | 115.6 (3) | C21—C22—H22 | 123.1 |
C7—N6—W | 121.6 (2) | C22—C23—C24 | 128.9 (3) |
C11—N6—W | 122.3 (2) | C22—C23—S2 | 110.6 (2) |
C24—N25—C26 | 119.6 (3) | C24—C23—S2 | 120.5 (3) |
C29—N32—C34 | 119.5 (3) | N25—C24—C23 | 123.0 (3) |
C29—N32—C33 | 120.6 (3) | N25—C24—H24 | 118.5 |
C34—N32—C33 | 119.8 (3) | C23—C24—H24 | 118.5 |
O1—C1—W | 177.6 (3) | C27—C26—C31 | 116.7 (3) |
O2—C2—W | 174.8 (3) | C27—C26—N25 | 118.6 (3) |
O3—C3—W | 175.7 (3) | C31—C26—N25 | 124.5 (3) |
O4—C4—W | 174.5 (3) | C28—C27—C26 | 122.2 (3) |
O5—C5—W | 178.7 (3) | C28—C27—H27 | 118.9 |
N6—C7—C8 | 124.5 (3) | C26—C27—H27 | 118.9 |
N6—C7—H7 | 117.7 | C27—C28—C29 | 120.5 (3) |
C8—C7—H7 | 117.7 | C27—C28—H28 | 119.7 |
C7—C8—C9 | 119.1 (3) | C29—C28—H28 | 119.7 |
C7—C8—H8 | 120.4 | N32—C29—C28 | 120.7 (3) |
C9—C8—H8 | 120.4 | N32—C29—C30 | 122.0 (3) |
C10—C9—C8 | 116.8 (3) | C28—C29—C30 | 117.2 (3) |
C10—C9—C12 | 121.2 (3) | C31—C30—C29 | 121.4 (3) |
C8—C9—C12 | 122.0 (3) | C31—C30—H30 | 119.3 |
C11—C10—C9 | 120.6 (3) | C29—C30—H30 | 119.3 |
C11—C10—H10 | 119.7 | C30—C31—C26 | 121.8 (3) |
C9—C10—H10 | 119.7 | C30—C31—H31 | 119.1 |
N6—C11—C10 | 123.2 (3) | C26—C31—H31 | 119.1 |
N6—C11—H11 | 118.4 | N32—C33—H33A | 109.5 |
C10—C11—H11 | 118.4 | N32—C33—H33B | 109.5 |
C13—C12—C9 | 177.1 (4) | H33A—C33—H33B | 109.5 |
C12—C13—C14 | 178.8 (4) | N32—C33—H33C | 109.5 |
C15—C14—C13 | 128.9 (3) | H33A—C33—H33C | 109.5 |
C15—C14—S1 | 110.5 (2) | H33B—C33—H33C | 109.5 |
C13—C14—S1 | 120.6 (3) | N32—C34—H34A | 109.5 |
C14—C15—C16 | 113.2 (3) | N32—C34—H34B | 109.5 |
C14—C15—H15 | 123.4 | H34A—C34—H34B | 109.5 |
C16—C15—H15 | 123.4 | N32—C34—H34C | 109.5 |
C17—C16—C15 | 113.6 (3) | H34A—C34—H34C | 109.5 |
C17—C16—H16 | 123.2 | H34B—C34—H34C | 109.5 |
C15—C16—H16 | 123.2 | ||
C1—W—N6—C7 | 42.0 (3) | C18—C19—C20—C21 | −170.2 (3) |
C4—W—N6—C7 | −44.4 (3) | C18—C19—C20—S2 | 10.2 (5) |
C3—W—N6—C7 | 133.0 (3) | C23—S2—C20—C21 | 0.8 (3) |
C2—W—N6—C7 | −138.1 (3) | C23—S2—C20—C19 | −179.5 (3) |
C1—W—N6—C11 | −129.5 (3) | C19—C20—C21—C22 | 178.7 (3) |
C4—W—N6—C11 | 144.2 (3) | S2—C20—C21—C22 | −1.7 (4) |
C3—W—N6—C11 | −38.5 (3) | C20—C21—C22—C23 | 2.0 (4) |
C2—W—N6—C11 | 50.4 (3) | C21—C22—C23—C24 | 179.8 (3) |
C11—N6—C7—C8 | 1.7 (5) | C21—C22—C23—S2 | −1.3 (4) |
W—N6—C7—C8 | −170.3 (3) | C20—S2—C23—C22 | 0.3 (3) |
N6—C7—C8—C9 | 0.3 (5) | C20—S2—C23—C24 | 179.3 (3) |
C7—C8—C9—C10 | −2.4 (5) | C26—N25—C24—C23 | −174.3 (3) |
C7—C8—C9—C12 | 176.7 (3) | C22—C23—C24—N25 | −169.0 (3) |
C8—C9—C10—C11 | 2.6 (5) | S2—C23—C24—N25 | 12.2 (5) |
C12—C9—C10—C11 | −176.5 (3) | C24—N25—C26—C27 | −143.1 (3) |
C7—N6—C11—C10 | −1.6 (5) | C24—N25—C26—C31 | 40.3 (5) |
W—N6—C11—C10 | 170.4 (3) | C31—C26—C27—C28 | −3.6 (5) |
C9—C10—C11—N6 | −0.6 (6) | N25—C26—C27—C28 | 179.5 (3) |
C17—S1—C14—C15 | −0.2 (3) | C26—C27—C28—C29 | 3.7 (5) |
C17—S1—C14—C13 | 179.1 (3) | C34—N32—C29—C28 | −180.0 (3) |
C13—C14—C15—C16 | −179.9 (3) | C33—N32—C29—C28 | 1.3 (5) |
S1—C14—C15—C16 | −0.7 (4) | C34—N32—C29—C30 | −2.2 (5) |
C14—C15—C16—C17 | 1.4 (4) | C33—N32—C29—C30 | 179.1 (3) |
C15—C16—C17—C18 | 176.9 (3) | C27—C28—C29—N32 | 176.8 (3) |
C15—C16—C17—S1 | −1.5 (4) | C27—C28—C29—C30 | −1.1 (5) |
C14—S1—C17—C16 | 1.0 (3) | N32—C29—C30—C31 | −179.4 (3) |
C14—S1—C17—C18 | −177.5 (3) | C28—C29—C30—C31 | −1.6 (5) |
C16—C17—C18—C19 | −164.3 (3) | C29—C30—C31—C26 | 1.7 (5) |
S1—C17—C18—C19 | 14.0 (5) | C27—C26—C31—C30 | 0.9 (5) |
C17—C18—C19—C20 | −178.9 (3) | N25—C26—C31—C30 | 177.6 (3) |