Tris[1,2,3(η5)-methylcyclopentadienyl]-μ3-sulfido-tri-μ2-sulfido-tritungsten p-toluenesulfonate
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807011762/su2012sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807011762/su2012Isup2.hkl |
CCDC reference: 643120
Key indicators
- Single-crystal X-ray study
- T = 123 K
- Mean (C-C) = 0.011 Å
- R factor = 0.040
- wR factor = 0.106
- Data-to-parameter ratio = 21.0
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 = 3 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C18 PLAT413_ALERT_2_C Short Inter XH3 .. XHn H25C .. H25C .. 2.14 Ang. PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CT1 W1 CT1 PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CT2 W2 CT2 PLAT711_ALERT_1_C BOND Unknown or Inconsistent Label .......... CT3 W3 CT3 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C7 H7 O3 S
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: CAD-4 EXPRESS (Enraf–Nonius, 1994); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SIR97 (Altomare et al., 1999); 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).
[W3(C6H7)3S4]C7H7SO3 | Z = 2 |
Mr = 1088.32 | F(000) = 1008 |
Triclinic, P1 | Dx = 2.643 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.629 (1) Å | Cell parameters from 25 reflections |
b = 11.365 (2) Å | θ = 9.7–14.2° |
c = 11.440 (6) Å | µ = 12.99 mm−1 |
α = 94.05 (3)° | T = 123 K |
β = 95.12 (3)° | Prism, violet |
γ = 94.61 (1)° | 0.35 × 0.2 × 0.07 mm |
V = 1367.7 (8) Å3 |
Enraf–Nonius CAD-4 MACH3 diffractometer | Rint = 0.038 |
nonprofiled ω scans | θmax = 28.5°, θmin = 1.9° |
Absorption correction: ψ scan (North et al., 1968) | h = −14→14 |
Tmin = 0.039, Tmax = 0.403 | k = −15→15 |
7430 measured reflections | l = 0→15 |
6917 independent reflections | 3 standard reflections every 60 min |
6357 reflections with I > 2σ(I) | intensity decay: 5% |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.040 | w = 1/[σ2(Fo2) + (0.0628P)2 + 8.5188P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.106 | (Δ/σ)max = 0.001 |
S = 1.17 | Δρmax = 3.83 e Å−3 |
6917 reflections | Δρmin = −3.61 e Å−3 |
329 parameters |
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. |
x | y | z | Uiso*/Ueq | ||
W1 | 0.40328 (2) | 0.28286 (2) | 0.03984 (2) | 0.00732 (8) | |
W2 | 0.25957 (2) | 0.20960 (2) | −0.17359 (2) | 0.00674 (8) | |
W3 | 0.13857 (2) | 0.28715 (2) | 0.02120 (2) | 0.00692 (8) | |
S1 | 0.44295 (17) | 0.33452 (15) | −0.14461 (16) | 0.0110 (3) | |
S2 | 0.10701 (18) | 0.34254 (16) | −0.16826 (16) | 0.0119 (3) | |
S3 | 0.28930 (17) | 0.43586 (15) | 0.10327 (16) | 0.0113 (3) | |
S4 | 0.25196 (16) | 0.12156 (14) | 0.00370 (15) | 0.0079 (3) | |
S5 | −0.26714 (17) | 0.07590 (15) | −0.27471 (16) | 0.0105 (3) | |
O1 | −0.3332 (6) | −0.0202 (5) | −0.3529 (6) | 0.0241 (14) | |
O2 | −0.3430 (6) | 0.1215 (6) | −0.1839 (5) | 0.0211 (12) | |
O3 | −0.1427 (5) | 0.0489 (5) | −0.2251 (5) | 0.0177 (11) | |
C1 | 0.5320 (7) | 0.3237 (7) | 0.2250 (7) | 0.0148 (14) | |
C2 | 0.6084 (7) | 0.3500 (7) | 0.1319 (7) | 0.0137 (14) | |
H2 | 0.6465 | 0.4257 | 0.1184 | 0.016* | |
C3 | 0.6167 (7) | 0.2431 (8) | 0.0640 (7) | 0.0194 (16) | |
H3 | 0.6646 | 0.2338 | −0.0018 | 0.023* | |
C4 | 0.5416 (8) | 0.1514 (8) | 0.1103 (8) | 0.0208 (17) | |
H4 | 0.5287 | 0.0708 | 0.0803 | 0.025* | |
C5 | 0.4894 (7) | 0.2032 (7) | 0.2100 (7) | 0.0158 (15) | |
H5 | 0.4349 | 0.1628 | 0.2583 | 0.019* | |
C6 | 0.5050 (8) | 0.4086 (7) | 0.3254 (7) | 0.0166 (15) | |
H6A | 0.4195 | 0.3881 | 0.3475 | 0.02* | |
H6B | 0.511 | 0.4896 | 0.3008 | 0.02* | |
H6C | 0.5671 | 0.4032 | 0.3931 | 0.02* | |
C7 | 0.3184 (8) | 0.1573 (7) | −0.3672 (7) | 0.0147 (14) | |
C8 | 0.1850 (7) | 0.1596 (7) | −0.3730 (7) | 0.0125 (14) | |
H8 | 0.1364 | 0.212 | −0.4154 | 0.015* | |
C9 | 0.1364 (7) | 0.0700 (6) | −0.3044 (6) | 0.0121 (13) | |
H9 | 0.0496 | 0.0522 | −0.293 | 0.014* | |
C10 | 0.2389 (7) | 0.0122 (6) | −0.2563 (7) | 0.0135 (14) | |
H10 | 0.2332 | −0.0525 | −0.2082 | 0.016* | |
C11 | 0.3525 (7) | 0.0674 (6) | −0.2920 (7) | 0.0123 (14) | |
H11 | 0.4361 | 0.0479 | −0.2699 | 0.015* | |
C12 | 0.4084 (9) | 0.2305 (8) | −0.4323 (7) | 0.0205 (17) | |
H12A | 0.4183 | 0.1887 | −0.5084 | 0.025* | |
H12B | 0.4911 | 0.2438 | −0.3859 | 0.025* | |
H12C | 0.3748 | 0.3068 | −0.4452 | 0.025* | |
C13 | 0.0486 (7) | 0.2549 (7) | 0.2008 (7) | 0.0131 (14) | |
C14 | 0.0021 (7) | 0.1578 (7) | 0.1170 (7) | 0.0127 (14) | |
H14 | 0.017 | 0.077 | 0.1224 | 0.015* | |
C15 | −0.0717 (7) | 0.2065 (7) | 0.0228 (7) | 0.0159 (15) | |
H15 | −0.1152 | 0.1626 | −0.0446 | 0.019* | |
C16 | −0.0684 (7) | 0.3297 (7) | 0.0476 (7) | 0.0143 (14) | |
H16 | −0.1083 | 0.3829 | −0.0011 | 0.017* | |
C17 | 0.0033 (7) | 0.3613 (7) | 0.1558 (7) | 0.0131 (14) | |
H17 | 0.0194 | 0.4391 | 0.1931 | 0.016* | |
C18 | 0.1248 (8) | 0.2449 (8) | 0.3163 (7) | 0.0203 (16) | |
H18A | 0.0673 | 0.2315 | 0.3773 | 0.024* | |
H18B | 0.1792 | 0.3184 | 0.338 | 0.024* | |
H18C | 0.1775 | 0.1784 | 0.3088 | 0.024* | |
C19 | −0.2378 (7) | 0.1940 (6) | −0.3661 (7) | 0.0107 (13) | |
C20 | −0.2157 (9) | 0.1687 (7) | −0.4805 (7) | 0.0196 (16) | |
H20 | −0.2158 | 0.0887 | −0.5107 | 0.024* | |
C21 | −0.1928 (9) | 0.2604 (7) | −0.5537 (8) | 0.0215 (17) | |
H21 | −0.181 | 0.2419 | −0.634 | 0.026* | |
C22 | −0.1871 (7) | 0.3785 (7) | −0.5097 (7) | 0.0148 (14) | |
C23 | −0.2103 (8) | 0.4008 (7) | −0.3932 (7) | 0.0175 (15) | |
H23 | −0.2092 | 0.4806 | −0.3621 | 0.021* | |
C24 | −0.2351 (8) | 0.3112 (7) | −0.3206 (7) | 0.0141 (14) | |
H24 | −0.25 | 0.3293 | −0.241 | 0.017* | |
C25 | −0.1601 (8) | 0.4778 (8) | −0.5870 (8) | 0.0208 (17) | |
H25A | −0.216 | 0.5404 | −0.5715 | 0.025* | |
H25B | −0.1752 | 0.4476 | −0.6698 | 0.025* | |
H25C | −0.0715 | 0.51 | −0.5698 | 0.025* |
U11 | U22 | U33 | U12 | U13 | U23 | |
W1 | 0.00557 (13) | 0.00857 (13) | 0.00772 (14) | 0.00231 (9) | −0.00083 (9) | −0.00011 (9) |
W2 | 0.00658 (13) | 0.00789 (13) | 0.00591 (13) | 0.00234 (9) | 0.00008 (9) | 0.00044 (9) |
W3 | 0.00587 (13) | 0.00835 (13) | 0.00704 (14) | 0.00362 (9) | 0.00047 (9) | 0.00078 (9) |
S1 | 0.0113 (8) | 0.0120 (7) | 0.0096 (8) | −0.0023 (6) | 0.0025 (6) | 0.0005 (6) |
S2 | 0.0136 (8) | 0.0141 (8) | 0.0093 (8) | 0.0066 (6) | 0.0009 (6) | 0.0029 (6) |
S3 | 0.0108 (8) | 0.0105 (7) | 0.0124 (8) | 0.0032 (6) | −0.0004 (6) | −0.0019 (6) |
S4 | 0.0077 (7) | 0.0079 (7) | 0.0087 (7) | 0.0034 (6) | 0.0001 (6) | 0.0017 (6) |
S5 | 0.0090 (7) | 0.0111 (7) | 0.0119 (8) | 0.0012 (6) | 0.0015 (6) | 0.0018 (6) |
O1 | 0.032 (3) | 0.017 (3) | 0.021 (3) | −0.009 (3) | −0.002 (3) | 0.002 (2) |
O2 | 0.017 (3) | 0.032 (3) | 0.018 (3) | 0.010 (2) | 0.011 (2) | 0.005 (2) |
O3 | 0.011 (3) | 0.019 (3) | 0.024 (3) | 0.005 (2) | 0.000 (2) | 0.008 (2) |
C1 | 0.011 (3) | 0.021 (4) | 0.011 (3) | 0.001 (3) | −0.004 (3) | 0.002 (3) |
C2 | 0.009 (3) | 0.019 (4) | 0.011 (3) | −0.001 (3) | −0.002 (3) | 0.001 (3) |
C3 | 0.010 (3) | 0.033 (4) | 0.014 (4) | 0.010 (3) | −0.005 (3) | −0.009 (3) |
C4 | 0.018 (4) | 0.021 (4) | 0.023 (4) | 0.013 (3) | −0.004 (3) | −0.005 (3) |
C5 | 0.013 (3) | 0.018 (4) | 0.015 (4) | 0.002 (3) | −0.007 (3) | 0.005 (3) |
C6 | 0.017 (4) | 0.023 (4) | 0.009 (3) | 0.000 (3) | −0.001 (3) | 0.001 (3) |
C7 | 0.016 (4) | 0.019 (4) | 0.009 (3) | 0.001 (3) | 0.000 (3) | 0.001 (3) |
C8 | 0.011 (3) | 0.016 (3) | 0.010 (3) | 0.007 (3) | −0.001 (3) | −0.005 (3) |
C9 | 0.014 (3) | 0.015 (3) | 0.007 (3) | 0.001 (3) | 0.002 (3) | −0.006 (2) |
C10 | 0.016 (4) | 0.009 (3) | 0.013 (3) | 0.003 (3) | −0.002 (3) | −0.005 (3) |
C11 | 0.009 (3) | 0.013 (3) | 0.014 (4) | 0.001 (3) | 0.000 (3) | −0.004 (3) |
C12 | 0.027 (4) | 0.023 (4) | 0.011 (4) | −0.007 (3) | 0.010 (3) | −0.003 (3) |
C13 | 0.011 (3) | 0.014 (3) | 0.016 (4) | 0.003 (3) | 0.002 (3) | 0.003 (3) |
C14 | 0.011 (3) | 0.015 (3) | 0.013 (3) | 0.000 (3) | 0.005 (3) | 0.002 (3) |
C15 | 0.007 (3) | 0.022 (4) | 0.018 (4) | −0.002 (3) | 0.003 (3) | −0.001 (3) |
C16 | 0.005 (3) | 0.023 (4) | 0.017 (4) | −0.004 (3) | 0.003 (3) | −0.008 (3) |
C17 | 0.010 (3) | 0.017 (3) | 0.014 (3) | 0.005 (3) | 0.007 (3) | −0.001 (3) |
C18 | 0.022 (4) | 0.029 (4) | 0.011 (4) | 0.005 (3) | −0.002 (3) | 0.005 (3) |
C19 | 0.006 (3) | 0.010 (3) | 0.016 (4) | 0.001 (2) | 0.001 (3) | 0.000 (3) |
C20 | 0.032 (5) | 0.015 (4) | 0.011 (4) | 0.002 (3) | 0.003 (3) | −0.001 (3) |
C21 | 0.034 (5) | 0.018 (4) | 0.014 (4) | 0.002 (3) | 0.010 (3) | 0.002 (3) |
C22 | 0.010 (3) | 0.012 (3) | 0.022 (4) | 0.000 (3) | −0.002 (3) | 0.001 (3) |
C23 | 0.024 (4) | 0.013 (3) | 0.015 (4) | 0.001 (3) | 0.003 (3) | −0.003 (3) |
C24 | 0.020 (4) | 0.014 (3) | 0.008 (3) | 0.005 (3) | 0.000 (3) | −0.001 (3) |
C25 | 0.019 (4) | 0.024 (4) | 0.020 (4) | −0.001 (3) | 0.000 (3) | 0.007 (3) |
W1—S1 | 2.295 (2) | C6—H6A | 0.98 |
W1—S3 | 2.3098 (19) | C6—H6B | 0.98 |
W1—C4 | 2.314 (8) | C6—H6C | 0.98 |
W1—S4 | 2.3278 (17) | C7—C8 | 1.416 (11) |
W1—C3 | 2.345 (8) | C7—C11 | 1.429 (11) |
W1—C5 | 2.348 (8) | C7—C12 | 1.500 (10) |
W1—C2 | 2.378 (7) | C8—C9 | 1.422 (11) |
W1—C1 | 2.411 (8) | C8—H8 | 0.95 |
W1—W2 | 2.7983 (14) | C9—C10 | 1.408 (11) |
W1—W3 | 2.8073 (15) | C9—H9 | 0.95 |
W1—Ct1 | 2.028 | C10—C11 | 1.421 (10) |
W2—S1 | 2.3017 (17) | C10—H10 | 0.95 |
W2—S2 | 2.3053 (18) | C11—H11 | 0.95 |
W2—S4 | 2.329 (2) | C12—H12A | 0.98 |
W2—C9 | 2.335 (7) | C12—H12B | 0.98 |
W2—C10 | 2.358 (7) | C12—H12C | 0.98 |
W2—C8 | 2.361 (7) | C13—C14 | 1.435 (10) |
W2—C11 | 2.369 (7) | C13—C17 | 1.448 (11) |
W2—C7 | 2.403 (8) | C13—C18 | 1.504 (11) |
W2—W3 | 2.7951 (12) | C14—C15 | 1.444 (11) |
W2—Ct2 | 2.034 | C14—H14 | 0.95 |
W3—S2 | 2.303 (2) | C15—C16 | 1.406 (11) |
W3—S3 | 2.3188 (18) | C15—H15 | 0.95 |
W3—S4 | 2.3214 (17) | C16—C17 | 1.402 (11) |
W3—Ct3 | 2.022 | C16—H16 | 0.95 |
W3—C16 | 2.331 (7) | C17—H17 | 0.95 |
W3—C15 | 2.348 (7) | C18—H18A | 0.98 |
W3—C17 | 2.357 (7) | C18—H18B | 0.98 |
W3—C14 | 2.374 (7) | C18—H18C | 0.98 |
W3—C13 | 2.381 (8) | C19—C20 | 1.365 (11) |
S5—O1 | 1.454 (6) | C19—C24 | 1.392 (10) |
S5—O3 | 1.457 (6) | C20—C21 | 1.401 (11) |
S5—O2 | 1.462 (6) | C20—H20 | 0.95 |
S5—C19 | 1.784 (7) | C21—C22 | 1.394 (11) |
C1—C5 | 1.401 (11) | C21—H21 | 0.95 |
C1—C2 | 1.429 (11) | C22—C23 | 1.387 (11) |
C1—C6 | 1.510 (11) | C22—C25 | 1.507 (11) |
C2—C3 | 1.409 (11) | C23—C24 | 1.382 (11) |
C2—H2 | 0.95 | C23—H23 | 0.95 |
C3—C4 | 1.422 (13) | C24—H24 | 0.95 |
C3—H3 | 0.95 | C25—H25A | 0.98 |
C4—C5 | 1.424 (12) | C25—H25B | 0.98 |
C4—H4 | 0.95 | C25—H25C | 0.98 |
C5—H5 | 0.95 | ||
S1—W1—S3 | 101.42 (7) | W1—S4—W2 | 73.87 (6) |
S1—W1—C4 | 111.9 (2) | O1—S5—O3 | 113.3 (4) |
S3—W1—C4 | 141.4 (2) | O1—S5—O2 | 113.8 (4) |
S1—W1—S4 | 103.94 (7) | O3—S5—O2 | 111.8 (4) |
S3—W1—S4 | 103.87 (6) | O1—S5—C19 | 105.3 (4) |
C4—W1—S4 | 86.9 (2) | O3—S5—C19 | 105.6 (3) |
S1—W1—C3 | 86.2 (2) | O2—S5—C19 | 106.3 (4) |
S3—W1—C3 | 134.9 (2) | C5—C1—C2 | 108.2 (7) |
C4—W1—C3 | 35.5 (3) | C5—C1—C6 | 125.2 (7) |
S4—W1—C3 | 117.4 (2) | C2—C1—C6 | 126.6 (7) |
S1—W1—C5 | 144.4 (2) | C5—C1—W1 | 70.4 (4) |
S3—W1—C5 | 106.4 (2) | C2—C1—W1 | 71.4 (4) |
C4—W1—C5 | 35.5 (3) | C6—C1—W1 | 125.7 (5) |
S4—W1—C5 | 90.64 (19) | C3—C2—C1 | 107.4 (7) |
C3—W1—C5 | 58.4 (3) | C3—C2—W1 | 71.4 (4) |
S1—W1—C2 | 95.72 (19) | C1—C2—W1 | 73.9 (4) |
S3—W1—C2 | 100.2 (2) | C3—C2—H2 | 126.3 |
C4—W1—C2 | 58.7 (3) | C1—C2—H2 | 126.3 |
S4—W1—C2 | 144.9 (2) | W1—C2—H2 | 120.2 |
C3—W1—C2 | 34.7 (3) | C2—C3—C4 | 108.7 (7) |
C5—W1—C2 | 58.0 (3) | C2—C3—W1 | 73.9 (4) |
S1—W1—C1 | 129.77 (19) | C4—C3—W1 | 71.1 (5) |
S3—W1—C1 | 85.9 (2) | C2—C3—H3 | 125.6 |
C4—W1—C1 | 58.0 (3) | C4—C3—H3 | 125.6 |
S4—W1—C1 | 122.58 (19) | W1—C3—H3 | 121.1 |
C3—W1—C1 | 57.5 (3) | C3—C4—C5 | 107.0 (7) |
C5—W1—C1 | 34.2 (3) | C3—C4—W1 | 73.4 (5) |
C2—W1—C1 | 34.7 (3) | C5—C4—W1 | 73.5 (5) |
S1—W1—W2 | 52.61 (5) | C3—C4—H4 | 126.5 |
S3—W1—W2 | 99.43 (5) | C5—C4—H4 | 126.5 |
C4—W1—W2 | 115.9 (2) | W1—C4—H4 | 118.6 |
S4—W1—W2 | 53.08 (5) | C1—C5—C4 | 108.6 (7) |
C3—W1—W2 | 119.2 (2) | C1—C5—W1 | 75.4 (4) |
C5—W1—W2 | 139.88 (19) | C4—C5—W1 | 71.0 (5) |
C2—W1—W2 | 145.54 (19) | C1—C5—H5 | 125.7 |
C1—W1—W2 | 173.73 (19) | C4—C5—H5 | 125.7 |
S1—W1—W3 | 99.67 (5) | W1—C5—H5 | 119.7 |
S3—W1—W3 | 52.81 (5) | C1—C6—H6A | 109.5 |
C4—W1—W3 | 134.1 (2) | C1—C6—H6B | 109.5 |
S4—W1—W3 | 52.75 (4) | H6A—C6—H6B | 109.5 |
C3—W1—W3 | 169.4 (2) | C1—C6—H6C | 109.5 |
C5—W1—W3 | 114.7 (2) | H6A—C6—H6C | 109.5 |
C2—W1—W3 | 151.1 (2) | H6B—C6—H6C | 109.5 |
C1—W1—W3 | 122.34 (19) | C8—C7—C11 | 107.5 (7) |
W2—W1—W3 | 59.82 (3) | C8—C7—C12 | 126.9 (8) |
S1—W2—S2 | 101.43 (7) | C11—C7—C12 | 125.5 (8) |
S1—W2—S4 | 103.71 (7) | C8—C7—W2 | 71.1 (4) |
S2—W2—S4 | 103.97 (7) | C11—C7—W2 | 71.3 (4) |
S1—W2—C9 | 145.27 (18) | C12—C7—W2 | 125.4 (5) |
S2—W2—C9 | 94.9 (2) | C7—C8—C9 | 108.2 (7) |
S4—W2—C9 | 101.77 (19) | C7—C8—W2 | 74.3 (4) |
S1—W2—C10 | 126.5 (2) | C9—C8—W2 | 71.4 (4) |
S2—W2—C10 | 128.5 (2) | C7—C8—H8 | 125.9 |
S4—W2—C10 | 83.7 (2) | C9—C8—H8 | 125.9 |
C9—W2—C10 | 34.9 (3) | W2—C8—H8 | 120.2 |
S1—W2—C8 | 114.63 (19) | C10—C9—C8 | 108.2 (7) |
S2—W2—C8 | 87.58 (19) | C10—C9—W2 | 73.4 (4) |
S4—W2—C8 | 136.88 (19) | C8—C9—W2 | 73.4 (4) |
C9—W2—C8 | 35.2 (3) | C10—C9—H9 | 125.9 |
C10—W2—C8 | 58.1 (3) | C8—C9—H9 | 125.9 |
S1—W2—C11 | 93.14 (18) | W2—C9—H9 | 119.1 |
S2—W2—C11 | 145.62 (19) | C9—C10—C11 | 108.2 (7) |
S4—W2—C11 | 102.51 (19) | C9—C10—W2 | 71.7 (4) |
C9—W2—C11 | 58.3 (3) | C11—C10—W2 | 72.9 (4) |
C10—W2—C11 | 35.0 (2) | C9—C10—H10 | 125.9 |
C8—W2—C11 | 58.1 (3) | C11—C10—H10 | 125.9 |
S1—W2—C7 | 87.25 (19) | W2—C10—H10 | 121.3 |
S2—W2—C7 | 114.4 (2) | C10—C11—C7 | 107.8 (7) |
S4—W2—C7 | 137.2 (2) | C10—C11—W2 | 72.1 (4) |
C9—W2—C7 | 58.0 (3) | C7—C11—W2 | 73.9 (4) |
C10—W2—C7 | 57.9 (3) | C10—C11—H11 | 126.1 |
C8—W2—C7 | 34.6 (3) | C7—C11—H11 | 126.1 |
C11—W2—C7 | 34.9 (3) | W2—C11—H11 | 119.8 |
S1—W2—W3 | 99.86 (5) | C7—C12—H12A | 109.5 |
S2—W2—W3 | 52.62 (5) | C7—C12—H12B | 109.5 |
S4—W2—W3 | 52.93 (5) | H12A—C12—H12B | 109.5 |
C9—W2—W3 | 114.32 (18) | C7—C12—H12C | 109.5 |
C10—W2—W3 | 123.86 (19) | H12A—C12—H12C | 109.5 |
C8—W2—W3 | 132.28 (18) | H12B—C12—H12C | 109.5 |
C11—W2—W3 | 154.28 (18) | C14—C13—C17 | 107.4 (7) |
C7—W2—W3 | 166.0 (2) | C14—C13—C18 | 125.5 (7) |
S1—W2—W1 | 52.40 (5) | C17—C13—C18 | 127.1 (7) |
S2—W2—W1 | 99.51 (5) | C14—C13—W3 | 72.2 (4) |
S4—W2—W1 | 53.05 (5) | C17—C13—W3 | 71.3 (4) |
C9—W2—W1 | 153.38 (19) | C18—C13—W3 | 124.2 (5) |
C10—W2—W1 | 123.11 (19) | C13—C14—C15 | 106.9 (7) |
C8—W2—W1 | 166.10 (18) | C13—C14—W3 | 72.7 (4) |
C11—W2—W1 | 113.90 (18) | C15—C14—W3 | 71.2 (4) |
C7—W2—W1 | 132.23 (19) | C13—C14—H14 | 126.6 |
W3—W2—W1 | 60.25 (3) | C15—C14—H14 | 126.6 |
S2—W3—S3 | 100.67 (7) | W3—C14—H14 | 121.3 |
S2—W3—S4 | 104.28 (7) | C16—C15—C14 | 108.6 (7) |
S3—W3—S4 | 103.79 (6) | C16—C15—W3 | 71.8 (4) |
S2—W3—C16 | 88.3 (2) | C14—C15—W3 | 73.2 (4) |
S3—W3—C16 | 113.0 (2) | C16—C15—H15 | 125.7 |
S4—W3—C16 | 138.1 (2) | C14—C15—H15 | 125.7 |
S2—W3—C15 | 93.7 (2) | W3—C15—H15 | 121 |
S3—W3—C15 | 144.8 (2) | C17—C16—C15 | 109.0 (7) |
S4—W3—C15 | 103.5 (2) | C17—C16—W3 | 73.6 (4) |
C16—W3—C15 | 35.0 (3) | C15—C16—W3 | 73.2 (4) |
S2—W3—C17 | 116.3 (2) | C17—C16—H16 | 125.5 |
S3—W3—C17 | 86.70 (19) | C15—C16—H16 | 125.5 |
S4—W3—C17 | 135.5 (2) | W3—C16—H16 | 119.5 |
C16—W3—C17 | 34.8 (3) | C16—C17—C13 | 108.2 (7) |
C15—W3—C17 | 58.1 (3) | C16—C17—W3 | 71.6 (4) |
S2—W3—C14 | 127.14 (19) | C13—C17—W3 | 73.1 (4) |
S3—W3—C14 | 128.98 (19) | C16—C17—H17 | 125.9 |
S4—W3—C14 | 82.67 (19) | C13—C17—H17 | 125.9 |
C16—W3—C14 | 58.9 (3) | W3—C17—H17 | 121.1 |
C15—W3—C14 | 35.6 (3) | C13—C18—H18A | 109.5 |
C17—W3—C14 | 58.8 (3) | C13—C18—H18B | 109.5 |
S2—W3—C13 | 146.92 (19) | H18A—C18—H18B | 109.5 |
S3—W3—C13 | 95.00 (19) | C13—C18—H18C | 109.5 |
S4—W3—C13 | 99.93 (19) | H18A—C18—H18C | 109.5 |
C16—W3—C13 | 58.7 (3) | H18B—C18—H18C | 109.5 |
C15—W3—C13 | 58.5 (3) | C20—C19—C24 | 120.2 (7) |
C17—W3—C13 | 35.6 (3) | C20—C19—S5 | 119.5 (6) |
C14—W3—C13 | 35.1 (2) | C24—C19—S5 | 120.3 (6) |
S2—W3—W2 | 52.70 (5) | C19—C20—C21 | 120.3 (7) |
S3—W3—W2 | 99.30 (5) | C19—C20—H20 | 119.9 |
S4—W3—W2 | 53.18 (5) | C21—C20—H20 | 119.9 |
C16—W3—W2 | 133.8 (2) | C22—C21—C20 | 120.7 (8) |
C15—W3—W2 | 114.9 (2) | C22—C21—H21 | 119.7 |
C17—W3—W2 | 168.1 (2) | C20—C21—H21 | 119.7 |
C14—W3—W2 | 122.24 (19) | C23—C22—C21 | 117.4 (7) |
C13—W3—W2 | 151.88 (18) | C23—C22—C25 | 121.5 (7) |
S2—W3—W1 | 99.32 (5) | C21—C22—C25 | 121.2 (8) |
S3—W3—W1 | 52.52 (5) | C24—C23—C22 | 122.5 (7) |
S4—W3—W1 | 52.96 (4) | C24—C23—H23 | 118.8 |
C16—W3—W1 | 164.5 (2) | C22—C23—H23 | 118.8 |
C15—W3—W1 | 155.3 (2) | C23—C24—C19 | 119.0 (7) |
C17—W3—W1 | 130.77 (19) | C23—C24—H24 | 120.5 |
C14—W3—W1 | 123.43 (19) | C19—C24—H24 | 120.5 |
C13—W3—W1 | 113.28 (19) | C22—C25—H25A | 109.5 |
W2—W3—W1 | 59.93 (3) | C22—C25—H25B | 109.5 |
W1—S1—W2 | 74.99 (6) | H25A—C25—H25B | 109.5 |
W3—S2—W2 | 74.68 (6) | C22—C25—H25C | 109.5 |
W1—S3—W3 | 74.67 (5) | H25A—C25—H25C | 109.5 |
W3—S4—W1 | 74.29 (5) | H25B—C25—H25C | 109.5 |
W3—S4—W2 | 73.89 (6) | ||
S3—W1—W2—S1 | 97.21 (8) | S3—W1—C1—C2 | −114.6 (5) |
C4—W1—W2—S1 | −98.7 (3) | C4—W1—C1—C2 | 80.0 (5) |
S4—W1—W2—S1 | −162.47 (8) | S4—W1—C1—C2 | 141.6 (4) |
C3—W1—W2—S1 | −58.6 (3) | C3—W1—C1—C2 | 37.7 (5) |
C5—W1—W2—S1 | −132.9 (3) | C5—W1—C1—C2 | 118.0 (7) |
C2—W1—W2—S1 | −26.9 (3) | W3—W1—C1—C2 | −154.9 (4) |
W3—W1—W2—S1 | 133.56 (6) | S1—W1—C1—C6 | 109.0 (6) |
S1—W1—W2—S2 | −97.15 (8) | S3—W1—C1—C6 | 7.5 (6) |
S3—W1—W2—S2 | 0.06 (6) | C4—W1—C1—C6 | −157.9 (8) |
C4—W1—W2—S2 | 164.1 (3) | S4—W1—C1—C6 | −96.3 (6) |
S4—W1—W2—S2 | 100.38 (7) | C3—W1—C1—C6 | 159.8 (8) |
C3—W1—W2—S2 | −155.7 (3) | C5—W1—C1—C6 | −119.9 (9) |
C5—W1—W2—S2 | 129.9 (3) | C2—W1—C1—C6 | 122.1 (9) |
C2—W1—W2—S2 | −124.0 (3) | W3—W1—C1—C6 | −32.8 (7) |
W3—W1—W2—S2 | 36.41 (5) | C5—C1—C2—C3 | −2.9 (9) |
S1—W1—W2—S4 | 162.47 (8) | C6—C1—C2—C3 | 174.9 (7) |
S3—W1—W2—S4 | −100.32 (7) | W1—C1—C2—C3 | −64.0 (5) |
C4—W1—W2—S4 | 63.8 (3) | C5—C1—C2—W1 | 61.1 (5) |
C3—W1—W2—S4 | 103.9 (3) | C6—C1—C2—W1 | −121.1 (8) |
C5—W1—W2—S4 | 29.5 (3) | S1—W1—C2—C3 | −74.9 (5) |
C2—W1—W2—S4 | 135.6 (3) | S3—W1—C2—C3 | −177.6 (5) |
W3—W1—W2—S4 | −63.97 (5) | C4—W1—C2—C3 | 37.4 (5) |
S1—W1—W2—C9 | 141.1 (4) | S4—W1—C2—C3 | 49.5 (6) |
S3—W1—W2—C9 | −121.7 (4) | C5—W1—C2—C3 | 79.4 (5) |
C4—W1—W2—C9 | 42.4 (5) | C1—W1—C2—C3 | 115.2 (7) |
S4—W1—W2—C9 | −21.3 (4) | W2—W1—C2—C3 | −53.7 (6) |
C3—W1—W2—C9 | 82.5 (5) | W3—W1—C2—C3 | 163.1 (4) |
C5—W1—W2—C9 | 8.2 (5) | S1—W1—C2—C1 | 169.9 (4) |
C2—W1—W2—C9 | 114.2 (5) | S3—W1—C2—C1 | 67.2 (5) |
W3—W1—W2—C9 | −85.3 (4) | C4—W1—C2—C1 | −77.9 (5) |
S1—W1—W2—C10 | 113.3 (2) | S4—W1—C2—C1 | −65.8 (6) |
S3—W1—W2—C10 | −149.5 (2) | C3—W1—C2—C1 | −115.2 (7) |
C4—W1—W2—C10 | 14.6 (3) | C5—W1—C2—C1 | −35.8 (5) |
S4—W1—W2—C10 | −49.2 (2) | W2—W1—C2—C1 | −168.9 (3) |
C3—W1—W2—C10 | 54.7 (3) | W3—W1—C2—C1 | 47.8 (7) |
C5—W1—W2—C10 | −19.7 (4) | C1—C2—C3—C4 | 2.7 (9) |
C2—W1—W2—C10 | 86.4 (4) | W1—C2—C3—C4 | −63.0 (6) |
W3—W1—W2—C10 | −113.2 (2) | C1—C2—C3—W1 | 65.7 (5) |
S1—W1—W2—C8 | 22.8 (8) | S1—W1—C3—C2 | 105.7 (5) |
S3—W1—W2—C8 | 120.0 (8) | S3—W1—C3—C2 | 3.3 (6) |
C4—W1—W2—C8 | −75.9 (8) | C4—W1—C3—C2 | −116.9 (7) |
S4—W1—W2—C8 | −139.7 (8) | S4—W1—C3—C2 | −150.5 (4) |
C3—W1—W2—C8 | −35.8 (8) | C5—W1—C3—C2 | −78.3 (5) |
C5—W1—W2—C8 | −110.1 (8) | C1—W1—C3—C2 | −37.7 (4) |
C2—W1—W2—C8 | −4.1 (8) | W2—W1—C3—C2 | 148.5 (4) |
W3—W1—W2—C8 | 156.3 (8) | W3—W1—C3—C2 | −130.0 (9) |
S1—W1—W2—C11 | 74.6 (2) | S1—W1—C3—C4 | −137.4 (5) |
S3—W1—W2—C11 | 171.8 (2) | S3—W1—C3—C4 | 120.2 (5) |
C4—W1—W2—C11 | −24.1 (3) | S4—W1—C3—C4 | −33.7 (5) |
S4—W1—W2—C11 | −87.9 (2) | C5—W1—C3—C4 | 38.6 (5) |
C3—W1—W2—C11 | 16.0 (3) | C2—W1—C3—C4 | 116.9 (7) |
C5—W1—W2—C11 | −58.3 (4) | C1—W1—C3—C4 | 79.2 (5) |
C2—W1—W2—C11 | 47.7 (4) | W2—W1—C3—C4 | −94.6 (5) |
W3—W1—W2—C11 | −151.85 (19) | W3—W1—C3—C4 | −13.1 (14) |
S1—W1—W2—C7 | 38.7 (3) | C2—C3—C4—C5 | −1.5 (9) |
S3—W1—W2—C7 | 135.9 (3) | W1—C3—C4—C5 | −66.3 (6) |
C4—W1—W2—C7 | −60.0 (4) | C2—C3—C4—W1 | 64.8 (6) |
S4—W1—W2—C7 | −123.8 (3) | S1—W1—C4—C3 | 46.7 (5) |
C3—W1—W2—C7 | −19.9 (4) | S3—W1—C4—C3 | −101.1 (5) |
C5—W1—W2—C7 | −94.3 (4) | S4—W1—C4—C3 | 150.5 (5) |
C2—W1—W2—C7 | 11.8 (4) | C5—W1—C4—C3 | −114.0 (7) |
W3—W1—W2—C7 | 172.2 (3) | C2—W1—C4—C3 | −36.5 (4) |
S1—W1—W2—W3 | −133.56 (6) | C1—W1—C4—C3 | −77.5 (5) |
S3—W1—W2—W3 | −36.35 (5) | W2—W1—C4—C3 | 104.5 (4) |
C4—W1—W2—W3 | 127.7 (3) | W3—W1—C4—C3 | 176.7 (3) |
S4—W1—W2—W3 | 63.97 (5) | S1—W1—C4—C5 | 160.7 (4) |
C3—W1—W2—W3 | 167.9 (3) | S3—W1—C4—C5 | 12.9 (7) |
C5—W1—W2—W3 | 93.5 (3) | S4—W1—C4—C5 | −95.5 (4) |
C2—W1—W2—W3 | −160.4 (3) | C3—W1—C4—C5 | 114.0 (7) |
S1—W2—W3—S2 | 96.91 (8) | C2—W1—C4—C5 | 77.6 (5) |
S4—W2—W3—S2 | −163.30 (8) | C1—W1—C4—C5 | 36.6 (4) |
C9—W2—W3—S2 | −76.8 (2) | W2—W1—C4—C5 | −141.4 (4) |
C10—W2—W3—S2 | −115.5 (2) | W3—W1—C4—C5 | −69.3 (5) |
C8—W2—W3—S2 | −40.0 (3) | C2—C1—C5—C4 | 1.9 (9) |
C11—W2—W3—S2 | −143.8 (4) | C6—C1—C5—C4 | −175.8 (7) |
C7—W2—W3—S2 | −22.9 (8) | W1—C1—C5—C4 | 63.7 (6) |
W1—W2—W3—S2 | 132.55 (6) | C2—C1—C5—W1 | −61.7 (6) |
S1—W2—W3—S3 | 0.52 (7) | C6—C1—C5—W1 | 120.5 (8) |
S2—W2—W3—S3 | −96.39 (8) | C3—C4—C5—C1 | −0.3 (9) |
S4—W2—W3—S3 | 100.32 (7) | W1—C4—C5—C1 | −66.6 (6) |
C9—W2—W3—S3 | −173.2 (2) | C3—C4—C5—W1 | 66.3 (6) |
C10—W2—W3—S3 | 148.1 (2) | S1—W1—C5—C1 | 84.3 (6) |
C8—W2—W3—S3 | −136.3 (3) | S3—W1—C5—C1 | −55.6 (5) |
C11—W2—W3—S3 | 119.8 (4) | C4—W1—C5—C1 | 116.0 (7) |
C7—W2—W3—S3 | −119.3 (8) | S4—W1—C5—C1 | −160.3 (5) |
W1—W2—W3—S3 | 36.17 (5) | C3—W1—C5—C1 | 77.4 (5) |
S1—W2—W3—S4 | −99.79 (7) | C2—W1—C5—C1 | 36.4 (5) |
S2—W2—W3—S4 | 163.30 (8) | W2—W1—C5—C1 | 176.5 (3) |
C9—W2—W3—S4 | 86.5 (2) | W3—W1—C5—C1 | −111.7 (4) |
C10—W2—W3—S4 | 47.8 (2) | S1—W1—C5—C4 | −31.7 (6) |
C8—W2—W3—S4 | 123.3 (3) | S3—W1—C5—C4 | −171.7 (4) |
C11—W2—W3—S4 | 19.5 (4) | S4—W1—C5—C4 | 83.7 (5) |
C7—W2—W3—S4 | 140.4 (8) | C3—W1—C5—C4 | −38.6 (5) |
W1—W2—W3—S4 | −64.15 (5) | C2—W1—C5—C4 | −79.7 (5) |
S1—W2—W3—C16 | 135.5 (3) | C1—W1—C5—C4 | −116.0 (7) |
S2—W2—W3—C16 | 38.6 (3) | W2—W1—C5—C4 | 60.5 (6) |
S4—W2—W3—C16 | −124.7 (3) | W3—W1—C5—C4 | 132.3 (4) |
C9—W2—W3—C16 | −38.2 (3) | S1—W2—C7—C8 | −143.6 (4) |
C10—W2—W3—C16 | −76.9 (3) | S2—W2—C7—C8 | −42.3 (5) |
C8—W2—W3—C16 | −1.4 (4) | S4—W2—C7—C8 | 109.1 (4) |
C11—W2—W3—C16 | −105.3 (5) | C9—W2—C7—C8 | 37.7 (4) |
C7—W2—W3—C16 | 15.6 (8) | C10—W2—C7—C8 | 79.1 (5) |
W1—W2—W3—C16 | 171.1 (3) | C11—W2—C7—C8 | 116.9 (6) |
S1—W2—W3—C15 | 171.7 (2) | W3—W2—C7—C8 | −22.5 (10) |
S2—W2—W3—C15 | 74.7 (2) | W1—W2—C7—C8 | −173.3 (3) |
S4—W2—W3—C15 | −88.5 (2) | S1—W2—C7—C11 | 99.5 (4) |
C9—W2—W3—C15 | −2.0 (3) | S2—W2—C7—C11 | −159.2 (4) |
C10—W2—W3—C15 | −40.7 (3) | S4—W2—C7—C11 | −7.8 (6) |
C8—W2—W3—C15 | 34.8 (3) | C9—W2—C7—C11 | −79.2 (5) |
C11—W2—W3—C15 | −69.1 (5) | C10—W2—C7—C11 | −37.7 (4) |
C7—W2—W3—C15 | 51.8 (8) | C8—W2—C7—C11 | −116.9 (6) |
W1—W2—W3—C15 | −152.7 (2) | W3—W2—C7—C11 | −139.3 (6) |
S1—W2—W3—C17 | 120.2 (9) | W1—W2—C7—C11 | 69.8 (5) |
S2—W2—W3—C17 | 23.3 (9) | S1—W2—C7—C12 | −21.2 (7) |
S4—W2—W3—C17 | −140.0 (9) | S2—W2—C7—C12 | 80.1 (7) |
C9—W2—W3—C17 | −53.5 (9) | S4—W2—C7—C12 | −128.5 (6) |
C10—W2—W3—C17 | −92.2 (9) | C9—W2—C7—C12 | 160.1 (8) |
C8—W2—W3—C17 | −16.7 (9) | C10—W2—C7—C12 | −158.4 (8) |
C11—W2—W3—C17 | −120.6 (10) | C8—W2—C7—C12 | 122.4 (9) |
C7—W2—W3—C17 | 0.3 (12) | C11—W2—C7—C12 | −120.7 (9) |
W1—W2—W3—C17 | 155.8 (9) | W3—W2—C7—C12 | 100.0 (9) |
S1—W2—W3—C14 | −148.4 (2) | W1—W2—C7—C12 | −50.9 (8) |
S2—W2—W3—C14 | 114.6 (2) | C11—C7—C8—C9 | −1.4 (8) |
S4—W2—W3—C14 | −48.7 (2) | C12—C7—C8—C9 | 175.6 (7) |
C9—W2—W3—C14 | 37.9 (3) | W2—C7—C8—C9 | −63.8 (5) |
C10—W2—W3—C14 | −0.8 (3) | C11—C7—C8—W2 | 62.4 (5) |
C8—W2—W3—C14 | 74.7 (3) | C12—C7—C8—W2 | −120.6 (8) |
C11—W2—W3—C14 | −29.2 (5) | S1—W2—C8—C7 | 40.7 (5) |
C7—W2—W3—C14 | 91.7 (8) | S2—W2—C8—C7 | 142.1 (4) |
W1—W2—W3—C14 | −112.8 (2) | S4—W2—C8—C7 | −109.9 (4) |
S1—W2—W3—C13 | −119.1 (4) | C9—W2—C8—C7 | −116.0 (6) |
S2—W2—W3—C13 | 144.0 (4) | C10—W2—C8—C7 | −78.4 (5) |
S4—W2—W3—C13 | −19.3 (4) | C11—W2—C8—C7 | −36.9 (4) |
C9—W2—W3—C13 | 67.2 (4) | W3—W2—C8—C7 | 172.8 (3) |
C10—W2—W3—C13 | 28.5 (5) | W1—W2—C8—C7 | 20.9 (11) |
C8—W2—W3—C13 | 104.1 (5) | S1—W2—C8—C9 | 156.6 (4) |
C11—W2—W3—C13 | 0.2 (6) | S2—W2—C8—C9 | −101.9 (4) |
C7—W2—W3—C13 | 121.1 (8) | S4—W2—C8—C9 | 6.0 (6) |
W1—W2—W3—C13 | −83.4 (4) | C10—W2—C8—C9 | 37.5 (4) |
S1—W2—W3—W1 | −35.64 (5) | C11—W2—C8—C9 | 79.0 (5) |
S2—W2—W3—W1 | −132.55 (6) | C7—W2—C8—C9 | 116.0 (6) |
S4—W2—W3—W1 | 64.15 (5) | W3—W2—C8—C9 | −71.2 (5) |
C9—W2—W3—W1 | 150.7 (2) | W1—W2—C8—C9 | 136.9 (7) |
C10—W2—W3—W1 | 112.0 (2) | C7—C8—C9—C10 | −0.1 (8) |
C8—W2—W3—W1 | −172.5 (3) | W2—C8—C9—C10 | −65.7 (5) |
C11—W2—W3—W1 | 83.6 (4) | C7—C8—C9—W2 | 65.7 (5) |
C7—W2—W3—W1 | −155.5 (8) | S1—W2—C9—C10 | 76.0 (5) |
S1—W1—W3—S2 | −0.69 (6) | S2—W2—C9—C10 | −165.8 (4) |
S3—W1—W3—S2 | 96.36 (8) | S4—W2—C9—C10 | −60.4 (4) |
C4—W1—W3—S2 | −134.6 (3) | C8—W2—C9—C10 | 115.3 (6) |
S4—W1—W3—S2 | −100.92 (8) | C11—W2—C9—C10 | 37.1 (4) |
C3—W1—W3—S2 | −124.0 (11) | C7—W2—C9—C10 | 78.4 (5) |
C5—W1—W3—S2 | −171.3 (2) | W3—W2—C9—C10 | −114.9 (4) |
C2—W1—W3—S2 | 120.5 (4) | W1—W2—C9—C10 | −43.2 (7) |
C1—W1—W3—S2 | 150.5 (2) | S1—W2—C9—C8 | −39.3 (6) |
W2—W1—W3—S2 | −36.43 (5) | S2—W2—C9—C8 | 78.8 (4) |
S1—W1—W3—S3 | −97.05 (8) | S4—W2—C9—C8 | −175.8 (4) |
C4—W1—W3—S3 | 129.1 (3) | C10—W2—C9—C8 | −115.3 (6) |
S4—W1—W3—S3 | 162.73 (8) | C11—W2—C9—C8 | −78.2 (5) |
C3—W1—W3—S3 | 139.7 (11) | C7—W2—C9—C8 | −37.0 (4) |
C5—W1—W3—S3 | 92.3 (2) | W3—W2—C9—C8 | 129.8 (4) |
C2—W1—W3—S3 | 24.1 (4) | W1—W2—C9—C8 | −158.5 (3) |
C1—W1—W3—S3 | 54.1 (2) | C8—C9—C10—C11 | 1.5 (8) |
W2—W1—W3—S3 | −132.78 (6) | W2—C9—C10—C11 | −64.2 (5) |
S1—W1—W3—S4 | 100.22 (8) | C8—C9—C10—W2 | 65.7 (5) |
S3—W1—W3—S4 | −162.73 (8) | S1—W2—C10—C9 | −136.5 (4) |
C4—W1—W3—S4 | −33.6 (3) | S2—W2—C10—C9 | 18.2 (5) |
C3—W1—W3—S4 | −23.0 (11) | S4—W2—C10—C9 | 121.0 (4) |
C5—W1—W3—S4 | −70.4 (2) | C8—W2—C10—C9 | −37.9 (4) |
C2—W1—W3—S4 | −138.6 (4) | C11—W2—C10—C9 | −116.5 (7) |
C1—W1—W3—S4 | −108.6 (2) | C7—W2—C10—C9 | −78.9 (5) |
W2—W1—W3—S4 | 64.49 (6) | W3—W2—C10—C9 | 84.5 (4) |
S1—W1—W3—C16 | −119.6 (7) | W1—W2—C10—C9 | 158.5 (4) |
S3—W1—W3—C16 | −22.5 (7) | S1—W2—C10—C11 | −20.0 (5) |
C4—W1—W3—C16 | 106.6 (8) | S2—W2—C10—C11 | 134.7 (4) |
S4—W1—W3—C16 | 140.2 (7) | S4—W2—C10—C11 | −122.4 (4) |
C3—W1—W3—C16 | 117.2 (13) | C9—W2—C10—C11 | 116.5 (7) |
C5—W1—W3—C16 | 69.8 (7) | C8—W2—C10—C11 | 78.6 (5) |
C2—W1—W3—C16 | 1.6 (8) | C7—W2—C10—C11 | 37.6 (4) |
C1—W1—W3—C16 | 31.6 (7) | W3—W2—C10—C11 | −158.9 (4) |
W2—W1—W3—C16 | −155.3 (7) | W1—W2—C10—C11 | −85.0 (5) |
S1—W1—W3—C15 | 120.2 (5) | C9—C10—C11—C7 | −2.4 (8) |
S3—W1—W3—C15 | −142.7 (5) | W2—C10—C11—C7 | −65.8 (5) |
C4—W1—W3—C15 | −13.6 (6) | C9—C10—C11—W2 | 63.4 (5) |
S4—W1—W3—C15 | 20.0 (5) | C8—C7—C11—C10 | 2.3 (8) |
C3—W1—W3—C15 | −3.0 (12) | C12—C7—C11—C10 | −174.8 (7) |
C5—W1—W3—C15 | −50.4 (5) | W2—C7—C11—C10 | 64.6 (5) |
C2—W1—W3—C15 | −118.6 (6) | C8—C7—C11—W2 | −62.3 (5) |
C1—W1—W3—C15 | −88.6 (5) | C12—C7—C11—W2 | 120.6 (8) |
W2—W1—W3—C15 | 84.5 (5) | S1—W2—C11—C10 | 164.0 (4) |
S1—W1—W3—C17 | −137.9 (3) | S2—W2—C11—C10 | −80.4 (5) |
S3—W1—W3—C17 | −40.8 (3) | S4—W2—C11—C10 | 59.2 (4) |
C4—W1—W3—C17 | 88.3 (4) | C9—W2—C11—C10 | −37.0 (4) |
S4—W1—W3—C17 | 121.9 (3) | C8—W2—C11—C10 | −78.7 (5) |
C3—W1—W3—C17 | 98.9 (11) | C7—W2—C11—C10 | −115.3 (6) |
C5—W1—W3—C17 | 51.5 (3) | W3—W2—C11—C10 | 43.4 (7) |
C2—W1—W3—C17 | −16.7 (5) | W1—W2—C11—C10 | 114.1 (4) |
C1—W1—W3—C17 | 13.3 (3) | S1—W2—C11—C7 | −80.6 (4) |
W2—W1—W3—C17 | −173.6 (2) | S2—W2—C11—C7 | 34.9 (6) |
S1—W1—W3—C14 | 146.6 (2) | S4—W2—C11—C7 | 174.6 (4) |
S3—W1—W3—C14 | −116.3 (2) | C9—W2—C11—C7 | 78.4 (5) |
C4—W1—W3—C14 | 12.8 (4) | C10—W2—C11—C7 | 115.3 (6) |
S4—W1—W3—C14 | 46.4 (2) | C8—W2—C11—C7 | 36.6 (4) |
C3—W1—W3—C14 | 23.3 (11) | W3—W2—C11—C7 | 158.8 (4) |
C5—W1—W3—C14 | −24.0 (3) | W1—W2—C11—C7 | −130.5 (4) |
C2—W1—W3—C14 | −92.2 (4) | S2—W3—C13—C14 | 75.0 (5) |
C1—W1—W3—C14 | −62.2 (3) | S3—W3—C13—C14 | −166.7 (4) |
W2—W1—W3—C14 | 110.9 (2) | S4—W3—C13—C14 | −61.7 (4) |
S1—W1—W3—C13 | −174.9 (2) | C16—W3—C13—C14 | 79.3 (5) |
S3—W1—W3—C13 | −77.9 (2) | C15—W3—C13—C14 | 38.1 (4) |
C4—W1—W3—C13 | 51.2 (4) | C17—W3—C13—C14 | 116.1 (6) |
S4—W1—W3—C13 | 84.9 (2) | W2—W3—C13—C14 | −46.2 (6) |
C3—W1—W3—C13 | 61.8 (11) | W1—W3—C13—C14 | −115.5 (4) |
C5—W1—W3—C13 | 14.4 (3) | S2—W3—C13—C17 | −41.2 (6) |
C2—W1—W3—C13 | −53.7 (4) | S3—W3—C13—C17 | 77.2 (4) |
C1—W1—W3—C13 | −23.8 (3) | S4—W3—C13—C17 | −177.8 (4) |
W2—W1—W3—C13 | 149.4 (2) | C16—W3—C13—C17 | −36.8 (4) |
S1—W1—W3—W2 | 35.73 (5) | C15—W3—C13—C17 | −78.0 (5) |
S3—W1—W3—W2 | 132.78 (6) | C14—W3—C13—C17 | −116.1 (6) |
C4—W1—W3—W2 | −98.1 (3) | W2—W3—C13—C17 | −162.3 (3) |
S4—W1—W3—W2 | −64.49 (6) | W1—W3—C13—C17 | 128.4 (4) |
C3—W1—W3—W2 | −87.5 (11) | S2—W3—C13—C18 | −163.8 (5) |
C5—W1—W3—W2 | −134.9 (2) | S3—W3—C13—C18 | −45.4 (6) |
C2—W1—W3—W2 | 156.9 (4) | S4—W3—C13—C18 | 59.5 (6) |
C1—W1—W3—W2 | −173.1 (2) | C16—W3—C13—C18 | −159.4 (8) |
S3—W1—S1—W2 | −93.21 (6) | C15—W3—C13—C18 | 159.4 (8) |
C4—W1—S1—W2 | 106.6 (2) | C17—W3—C13—C18 | −122.6 (8) |
S4—W1—S1—W2 | 14.37 (7) | C14—W3—C13—C18 | 121.2 (8) |
C3—W1—S1—W2 | 131.7 (2) | W2—W3—C13—C18 | 75.1 (8) |
C5—W1—S1—W2 | 125.9 (3) | W1—W3—C13—C18 | 5.7 (7) |
C2—W1—S1—W2 | 165.1 (2) | C17—C13—C14—C15 | −0.5 (8) |
C1—W1—S1—W2 | 172.6 (3) | C18—C13—C14—C15 | 176.8 (7) |
W3—W1—S1—W2 | −39.45 (4) | W3—C13—C14—C15 | −63.5 (5) |
S2—W2—S1—W1 | 93.28 (7) | C17—C13—C14—W3 | 63.0 (5) |
S4—W2—S1—W1 | −14.35 (7) | C18—C13—C14—W3 | −119.7 (8) |
C9—W2—S1—W1 | −150.4 (3) | S2—W3—C14—C13 | −138.6 (4) |
C10—W2—S1—W1 | −106.7 (2) | S3—W3—C14—C13 | 17.2 (5) |
C8—W2—S1—W1 | −174.1 (2) | S4—W3—C14—C13 | 119.0 (4) |
C11—W2—S1—W1 | −118.03 (19) | C16—W3—C14—C13 | −78.5 (5) |
C7—W2—S1—W1 | −152.4 (2) | C15—W3—C14—C13 | −115.2 (7) |
W3—W2—S1—W1 | 39.69 (5) | C17—W3—C14—C13 | −37.6 (4) |
S3—W3—S2—W2 | 93.62 (6) | W2—W3—C14—C13 | 156.3 (4) |
S4—W3—S2—W2 | −13.73 (6) | W1—W3—C14—C13 | 83.4 (4) |
C16—W3—S2—W2 | −153.3 (2) | S2—W3—C14—C15 | −23.4 (5) |
C15—W3—S2—W2 | −118.7 (2) | S3—W3—C14—C15 | 132.4 (4) |
C17—W3—S2—W2 | −174.8 (2) | S4—W3—C14—C15 | −125.8 (4) |
C14—W3—S2—W2 | −105.3 (2) | C16—W3—C14—C15 | 36.7 (5) |
C13—W3—S2—W2 | −149.5 (3) | C17—W3—C14—C15 | 77.6 (5) |
W1—W3—S2—W2 | 40.24 (4) | C13—W3—C14—C15 | 115.2 (7) |
S1—W2—S2—W3 | −93.75 (7) | W2—W3—C14—C15 | −88.5 (5) |
S4—W2—S2—W3 | 13.67 (6) | W1—W3—C14—C15 | −161.4 (4) |
C9—W2—S2—W3 | 117.08 (19) | C13—C14—C15—C16 | 0.9 (8) |
C10—W2—S2—W3 | 106.8 (3) | W3—C14—C15—C16 | −63.5 (5) |
C8—W2—S2—W3 | 151.60 (19) | C13—C14—C15—W3 | 64.5 (5) |
C11—W2—S2—W3 | 153.0 (3) | S2—W3—C15—C16 | −81.7 (5) |
C7—W2—S2—W3 | 174.1 (2) | S3—W3—C15—C16 | 32.7 (7) |
W1—W2—S2—W3 | −40.43 (5) | S4—W3—C15—C16 | 172.6 (4) |
S1—W1—S3—W3 | 93.55 (6) | C17—W3—C15—C16 | 37.1 (5) |
C4—W1—S3—W3 | −116.7 (4) | C14—W3—C15—C16 | 116.8 (7) |
S4—W1—S3—W3 | −14.09 (7) | C13—W3—C15—C16 | 79.1 (5) |
C3—W1—S3—W3 | −170.3 (3) | W2—W3—C15—C16 | −132.0 (4) |
C5—W1—S3—W3 | −108.9 (2) | W1—W3—C15—C16 | 156.3 (4) |
C2—W1—S3—W3 | −168.41 (19) | S2—W3—C15—C14 | 161.5 (4) |
C1—W1—S3—W3 | −136.67 (19) | S3—W3—C15—C14 | −84.0 (5) |
W2—W1—S3—W3 | 40.02 (5) | S4—W3—C15—C14 | 55.9 (5) |
S2—W3—S3—W1 | −93.62 (7) | C16—W3—C15—C14 | −116.8 (7) |
S4—W3—S3—W1 | 14.13 (7) | C17—W3—C15—C14 | −79.7 (5) |
C16—W3—S3—W1 | 173.6 (2) | C13—W3—C15—C14 | −37.6 (4) |
C15—W3—S3—W1 | 154.0 (4) | W2—W3—C15—C14 | 111.3 (4) |
C17—W3—S3—W1 | 150.3 (2) | W1—W3—C15—C14 | 39.5 (7) |
C14—W3—S3—W1 | 105.8 (2) | C14—C15—C16—C17 | −1.0 (8) |
C13—W3—S3—W1 | 115.64 (19) | W3—C15—C16—C17 | −65.4 (5) |
W2—W3—S3—W1 | −40.06 (5) | C14—C15—C16—W3 | 64.4 (5) |
S2—W3—S4—W1 | 90.99 (7) | S2—W3—C16—C17 | −144.8 (4) |
S3—W3—S4—W1 | −14.04 (6) | S3—W3—C16—C17 | −43.9 (5) |
C16—W3—S4—W1 | −165.2 (3) | S4—W3—C16—C17 | 105.5 (5) |
C15—W3—S4—W1 | −171.5 (2) | C15—W3—C16—C17 | 116.3 (7) |
C17—W3—S4—W1 | −113.5 (3) | C14—W3—C16—C17 | 78.9 (5) |
C14—W3—S4—W1 | −142.47 (19) | C13—W3—C16—C17 | 37.6 (4) |
C13—W3—S4—W1 | −111.75 (19) | W2—W3—C16—C17 | −174.5 (3) |
W2—W3—S4—W1 | 77.34 (5) | W1—W3—C16—C17 | −24.6 (10) |
S2—W3—S4—W2 | 13.64 (6) | S2—W3—C16—C15 | 98.9 (5) |
S3—W3—S4—W2 | −91.38 (7) | S3—W3—C16—C15 | −160.2 (4) |
C16—W3—S4—W2 | 117.4 (3) | S4—W3—C16—C15 | −10.8 (6) |
C15—W3—S4—W2 | 111.1 (2) | C17—W3—C16—C15 | −116.3 (7) |
C17—W3—S4—W2 | 169.1 (3) | C14—W3—C16—C15 | −37.4 (5) |
C14—W3—S4—W2 | 140.19 (19) | C13—W3—C16—C15 | −78.7 (5) |
C13—W3—S4—W2 | 170.91 (19) | W2—W3—C16—C15 | 69.2 (5) |
W1—W3—S4—W2 | −77.34 (5) | W1—W3—C16—C15 | −140.9 (6) |
S1—W1—S4—W3 | −91.64 (7) | C15—C16—C17—C13 | 0.7 (8) |
S3—W1—S4—W3 | 14.10 (7) | W3—C16—C17—C13 | −64.5 (5) |
C4—W1—S4—W3 | 156.5 (2) | C15—C16—C17—W3 | 65.2 (5) |
C3—W1—S4—W3 | 175.3 (2) | C14—C13—C17—C16 | −0.1 (8) |
C5—W1—S4—W3 | 121.2 (2) | C18—C13—C17—C16 | −177.4 (7) |
C2—W1—S4—W3 | 146.2 (3) | W3—C13—C17—C16 | 63.4 (5) |
C1—W1—S4—W3 | 108.2 (2) | C14—C13—C17—W3 | −63.6 (5) |
W2—W1—S4—W3 | −77.37 (5) | C18—C13—C17—W3 | 119.2 (8) |
S1—W1—S4—W2 | −14.27 (7) | S2—W3—C17—C16 | 40.0 (5) |
S3—W1—S4—W2 | 91.47 (7) | S3—W3—C17—C16 | 140.3 (4) |
C4—W1—S4—W2 | −126.1 (2) | S4—W3—C17—C16 | −113.4 (4) |
C3—W1—S4—W2 | −107.3 (2) | C15—W3—C17—C16 | −37.2 (4) |
C5—W1—S4—W2 | −161.5 (2) | C14—W3—C17—C16 | −79.3 (5) |
C2—W1—S4—W2 | −136.4 (3) | C13—W3—C17—C16 | −116.4 (6) |
C1—W1—S4—W2 | −174.5 (2) | W2—W3—C17—C16 | 19.5 (12) |
W3—W1—S4—W2 | 77.37 (5) | W1—W3—C17—C16 | 171.6 (4) |
S1—W2—S4—W3 | 92.10 (6) | S2—W3—C17—C13 | 156.4 (4) |
S2—W2—S4—W3 | −13.61 (6) | S3—W3—C17—C13 | −103.3 (4) |
C9—W2—S4—W3 | −111.71 (19) | S4—W3—C17—C13 | 3.0 (6) |
C10—W2—S4—W3 | −141.76 (19) | C16—W3—C17—C13 | 116.4 (6) |
C8—W2—S4—W3 | −115.3 (3) | C15—W3—C17—C13 | 79.2 (5) |
C11—W2—S4—W3 | −171.48 (18) | C14—W3—C17—C13 | 37.1 (4) |
C7—W2—S4—W3 | −166.9 (3) | W2—W3—C17—C13 | 135.9 (8) |
W1—W2—S4—W3 | 77.88 (4) | W1—W3—C17—C13 | −72.0 (5) |
S1—W2—S4—W1 | 14.22 (7) | O1—S5—C19—C20 | −32.9 (8) |
S2—W2—S4—W1 | −91.49 (6) | O3—S5—C19—C20 | 87.2 (7) |
C9—W2—S4—W1 | 170.41 (19) | O2—S5—C19—C20 | −153.9 (7) |
C10—W2—S4—W1 | 140.36 (19) | O1—S5—C19—C24 | 148.3 (6) |
C8—W2—S4—W1 | 166.9 (3) | O3—S5—C19—C24 | −91.6 (7) |
C11—W2—S4—W1 | 110.64 (18) | O2—S5—C19—C24 | 27.3 (7) |
C7—W2—S4—W1 | 115.2 (3) | C24—C19—C20—C21 | −1.4 (13) |
W3—W2—S4—W1 | −77.88 (4) | S5—C19—C20—C21 | 179.8 (7) |
S1—W1—C1—C5 | −131.1 (4) | C19—C20—C21—C22 | 2.6 (14) |
S3—W1—C1—C5 | 127.4 (5) | C20—C21—C22—C23 | −2.7 (13) |
C4—W1—C1—C5 | −38.0 (5) | C20—C21—C22—C25 | 178.8 (8) |
S4—W1—C1—C5 | 23.6 (6) | C21—C22—C23—C24 | 1.7 (13) |
C3—W1—C1—C5 | −80.3 (5) | C25—C22—C23—C24 | −179.9 (8) |
C2—W1—C1—C5 | −118.0 (7) | C22—C23—C24—C19 | −0.5 (13) |
W3—W1—C1—C5 | 87.1 (5) | C20—C19—C24—C23 | 0.3 (12) |
S1—W1—C1—C2 | −13.1 (6) | S5—C19—C24—C23 | 179.1 (6) |