Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806010725/ng2023sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806010725/ng2023Isup2.hkl |
CCDC reference: 605252
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.004 Å
- R factor = 0.029
- wR factor = 0.063
- Data-to-parameter ratio = 34.4
checkCIF/PLATON results
No syntax errors found
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.198 0.256 Tmin and Tmax expected: 0.162 0.254 RR = 1.218 Please check that your absorption correction is appropriate. PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.23 PLAT432_ALERT_2_C Short Inter X...Y Contact S1 .. C43 .. 3.27 Ang.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 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 0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: COLLECT (Nonius, 2000); cell refinement: HKL SCALEPACK (Otwinowski & Minor 1997); data reduction: HKL DENZO (Otwinowski & Minor 1997) and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
[Au(C18H15P)(C8H7S2)] | F(000) = 2432 |
Mr = 626.49 | Dx = 1.86 Mg m−3 |
Monoclinic, P21/c | Melting point: 172-173 °C K |
Hall symbol: -P 2ybc | Mo Kα radiation, λ = 0.71073 Å |
a = 19.525 (2) Å | Cell parameters from 17051 reflections |
b = 12.3297 (10) Å | θ = 2.5–35° |
c = 18.625 (1) Å | µ = 6.84 mm−1 |
β = 93.486 (3)° | T = 100 K |
V = 4475.4 (6) Å3 | Fragment, purple |
Z = 8 | 0.28 × 0.24 × 0.20 mm |
KappaCCD (with Oxford Cryostream) diffractometer | 15875 reflections with I > 2σ(I) |
ω scans with κ offsets | Rint = 0.024 |
Absorption correction: multi-scan HKL Scalepack (Otwinowski & Minor 1997) | θmax = 35.0°, θmin = 2.7° |
Tmin = 0.198, Tmax = 0.256 | h = −30→31 |
83707 measured reflections | k = −18→19 |
18706 independent reflections | l = −30→30 |
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)] = 0.029 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.063 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0199P)2 + 8.6263P] where P = (Fo2 + 2Fc2)/3 |
18706 reflections | (Δ/σ)max = 0.006 |
543 parameters | Δρmax = 3.06 e Å−3 |
0 restraints | Δρmin = −1.63 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 | ||
Au1 | 0.792055 (5) | 0.594127 (7) | 0.408406 (5) | 0.01431 (2) | |
P1 | 0.87498 (3) | 0.55923 (5) | 0.33233 (3) | 0.01303 (10) | |
S1 | 0.71920 (4) | 0.38569 (5) | 0.48316 (4) | 0.02729 (15) | |
S2 | 0.71390 (3) | 0.62860 (5) | 0.49487 (3) | 0.01688 (11) | |
C1 | 0.95875 (12) | 0.58058 (19) | 0.37755 (13) | 0.0155 (4) | |
C2 | 0.96865 (14) | 0.6735 (2) | 0.42011 (14) | 0.0199 (5) | |
H2 | 0.9319 | 0.723 | 0.4248 | 0.024* | |
C3 | 1.03193 (14) | 0.6937 (2) | 0.45553 (14) | 0.0239 (5) | |
H3 | 1.0383 | 0.757 | 0.4843 | 0.029* | |
C4 | 1.08608 (15) | 0.6219 (2) | 0.44920 (15) | 0.0245 (5) | |
H4 | 1.1295 | 0.6364 | 0.473 | 0.029* | |
C5 | 1.07629 (14) | 0.5288 (2) | 0.40783 (15) | 0.0234 (5) | |
H5 | 1.113 | 0.4789 | 0.4041 | 0.028* | |
C6 | 1.01320 (13) | 0.5083 (2) | 0.37188 (14) | 0.0198 (5) | |
H6 | 1.0071 | 0.4449 | 0.3433 | 0.024* | |
C7 | 0.87210 (12) | 0.63753 (18) | 0.25005 (12) | 0.0140 (4) | |
C8 | 0.93231 (13) | 0.6612 (2) | 0.21539 (14) | 0.0180 (4) | |
H8 | 0.9759 | 0.6422 | 0.2372 | 0.022* | |
C9 | 0.92733 (14) | 0.7128 (2) | 0.14887 (14) | 0.0213 (5) | |
H9 | 0.9678 | 0.7288 | 0.1251 | 0.026* | |
C10 | 0.86404 (14) | 0.7409 (2) | 0.11700 (14) | 0.0223 (5) | |
H10 | 0.8613 | 0.7755 | 0.0713 | 0.027* | |
C11 | 0.80426 (14) | 0.7187 (2) | 0.15159 (14) | 0.0201 (5) | |
H11 | 0.7608 | 0.7385 | 0.1298 | 0.024* | |
C12 | 0.80864 (13) | 0.6674 (2) | 0.21824 (13) | 0.0172 (4) | |
H12 | 0.768 | 0.6526 | 0.2421 | 0.021* | |
C13 | 0.87585 (12) | 0.41900 (18) | 0.30192 (13) | 0.0135 (4) | |
C14 | 0.87777 (13) | 0.39219 (19) | 0.22940 (13) | 0.0161 (4) | |
H14 | 0.8771 | 0.4476 | 0.194 | 0.019* | |
C15 | 0.88072 (13) | 0.2833 (2) | 0.20911 (15) | 0.0202 (5) | |
H15 | 0.8819 | 0.265 | 0.1597 | 0.024* | |
C16 | 0.88192 (13) | 0.2022 (2) | 0.26013 (16) | 0.0229 (5) | |
H16 | 0.8848 | 0.1284 | 0.2459 | 0.028* | |
C17 | 0.87893 (13) | 0.2288 (2) | 0.33280 (16) | 0.0222 (5) | |
H17 | 0.8796 | 0.173 | 0.368 | 0.027* | |
C18 | 0.87504 (13) | 0.3366 (2) | 0.35349 (14) | 0.0188 (4) | |
H18 | 0.8718 | 0.3544 | 0.4028 | 0.023* | |
C19 | 0.69225 (12) | 0.49918 (18) | 0.51872 (12) | 0.0139 (4) | |
C20 | 0.64336 (12) | 0.49493 (17) | 0.57715 (12) | 0.0130 (4) | |
C21 | 0.57500 (12) | 0.52393 (19) | 0.56155 (13) | 0.0163 (4) | |
H21 | 0.5608 | 0.5481 | 0.5146 | 0.02* | |
C22 | 0.52754 (13) | 0.5179 (2) | 0.61400 (14) | 0.0184 (4) | |
H22 | 0.4809 | 0.5368 | 0.603 | 0.022* | |
C23 | 0.54916 (13) | 0.4837 (2) | 0.68284 (13) | 0.0184 (4) | |
H23 | 0.5171 | 0.4784 | 0.7191 | 0.022* | |
C24 | 0.61727 (13) | 0.45746 (19) | 0.69863 (13) | 0.0167 (4) | |
H24 | 0.6314 | 0.436 | 0.7462 | 0.02* | |
C25 | 0.66583 (12) | 0.46161 (18) | 0.64673 (13) | 0.0150 (4) | |
C26 | 0.73910 (13) | 0.4301 (2) | 0.66484 (15) | 0.0220 (5) | |
H26A | 0.7466 | 0.4219 | 0.7171 | 0.033* | |
H26B | 0.7696 | 0.4866 | 0.648 | 0.033* | |
H26C | 0.7489 | 0.3613 | 0.6413 | 0.033* | |
Au2 | 0.266900 (5) | 0.606902 (7) | 0.895154 (5) | 0.01484 (2) | |
P2 | 0.35764 (3) | 0.59915 (5) | 0.82527 (3) | 0.01240 (10) | |
S3 | 0.26172 (4) | 0.40386 (5) | 1.00547 (4) | 0.02242 (13) | |
S4 | 0.18105 (3) | 0.60646 (5) | 0.97697 (4) | 0.01933 (12) | |
C27 | 0.36862 (12) | 0.46344 (18) | 0.78991 (13) | 0.0138 (4) | |
C28 | 0.37388 (13) | 0.37748 (19) | 0.83929 (14) | 0.0176 (4) | |
H28 | 0.3718 | 0.3916 | 0.8893 | 0.021* | |
C29 | 0.38220 (13) | 0.2715 (2) | 0.81527 (15) | 0.0196 (5) | |
H29 | 0.386 | 0.2133 | 0.8487 | 0.024* | |
C30 | 0.38486 (13) | 0.2514 (2) | 0.74186 (15) | 0.0207 (5) | |
H30 | 0.391 | 0.1794 | 0.7253 | 0.025* | |
C31 | 0.37868 (14) | 0.3358 (2) | 0.69279 (14) | 0.0201 (5) | |
H31 | 0.3802 | 0.3214 | 0.6428 | 0.024* | |
C32 | 0.37014 (12) | 0.44207 (19) | 0.71668 (13) | 0.0159 (4) | |
H32 | 0.3654 | 0.4997 | 0.6829 | 0.019* | |
C33 | 0.43472 (12) | 0.62760 (18) | 0.88155 (12) | 0.0143 (4) | |
C34 | 0.49607 (13) | 0.5702 (2) | 0.87692 (14) | 0.0192 (5) | |
H34 | 0.4984 | 0.5116 | 0.844 | 0.023* | |
C35 | 0.55362 (14) | 0.5988 (2) | 0.92046 (16) | 0.0232 (5) | |
H35 | 0.5952 | 0.5596 | 0.9172 | 0.028* | |
C36 | 0.55067 (14) | 0.6847 (2) | 0.96878 (14) | 0.0223 (5) | |
H36 | 0.5901 | 0.7049 | 0.9981 | 0.027* | |
C37 | 0.48915 (15) | 0.7404 (2) | 0.97365 (15) | 0.0235 (5) | |
H37 | 0.4867 | 0.7985 | 1.007 | 0.028* | |
C38 | 0.43166 (13) | 0.7128 (2) | 0.93085 (14) | 0.0190 (4) | |
H38 | 0.39 | 0.7516 | 0.9348 | 0.023* | |
C39 | 0.36075 (12) | 0.68782 (18) | 0.74778 (12) | 0.0137 (4) | |
C40 | 0.42364 (13) | 0.71596 (19) | 0.72060 (14) | 0.0175 (4) | |
H40 | 0.4654 | 0.6927 | 0.7446 | 0.021* | |
C41 | 0.42485 (13) | 0.7780 (2) | 0.65831 (14) | 0.0193 (5) | |
H41 | 0.4675 | 0.7967 | 0.6396 | 0.023* | |
C42 | 0.36411 (14) | 0.8125 (2) | 0.62343 (13) | 0.0204 (5) | |
H42 | 0.3651 | 0.8547 | 0.5808 | 0.024* | |
C43 | 0.30148 (14) | 0.7856 (2) | 0.65073 (13) | 0.0188 (4) | |
H43 | 0.2599 | 0.8101 | 0.627 | 0.023* | |
C44 | 0.29965 (12) | 0.72296 (19) | 0.71262 (13) | 0.0161 (4) | |
H44 | 0.2569 | 0.7041 | 0.7309 | 0.019* | |
C45 | 0.19841 (12) | 0.48608 (18) | 1.02271 (12) | 0.0140 (4) | |
C46 | 0.14940 (12) | 0.46024 (18) | 1.07902 (13) | 0.0140 (4) | |
C47 | 0.07898 (13) | 0.4759 (2) | 1.06215 (14) | 0.0178 (4) | |
H47 | 0.0641 | 0.5012 | 1.0156 | 0.021* | |
C48 | 0.03068 (14) | 0.4551 (2) | 1.11200 (15) | 0.0218 (5) | |
H48 | −0.0168 | 0.4647 | 1.0994 | 0.026* | |
C49 | 0.05246 (14) | 0.4201 (2) | 1.18042 (14) | 0.0210 (5) | |
H49 | 0.0199 | 0.4063 | 1.2152 | 0.025* | |
C50 | 0.12191 (13) | 0.40535 (19) | 1.19793 (13) | 0.0175 (4) | |
H50 | 0.1361 | 0.3822 | 1.2452 | 0.021* | |
C51 | 0.17176 (12) | 0.42329 (18) | 1.14861 (13) | 0.0148 (4) | |
C52 | 0.24519 (13) | 0.4020 (2) | 1.17264 (15) | 0.0210 (5) | |
H52A | 0.2604 | 0.3344 | 1.1508 | 0.032* | |
H52B | 0.2494 | 0.3953 | 1.2252 | 0.032* | |
H52C | 0.2738 | 0.4622 | 1.1576 | 0.032* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Au1 | 0.01267 (4) | 0.01743 (4) | 0.01320 (4) | −0.00139 (3) | 0.00389 (3) | 0.00006 (3) |
P1 | 0.0112 (3) | 0.0163 (2) | 0.0118 (2) | −0.00156 (19) | 0.0018 (2) | −0.0005 (2) |
S1 | 0.0345 (4) | 0.0175 (3) | 0.0319 (4) | −0.0033 (2) | 0.0188 (3) | −0.0079 (2) |
S2 | 0.0184 (3) | 0.0151 (2) | 0.0180 (3) | 0.0003 (2) | 0.0084 (2) | 0.0006 (2) |
C1 | 0.0146 (10) | 0.0198 (10) | 0.0121 (9) | −0.0035 (8) | −0.0004 (8) | 0.0028 (8) |
C2 | 0.0192 (12) | 0.0235 (11) | 0.0171 (11) | −0.0042 (9) | 0.0013 (9) | −0.0013 (9) |
C3 | 0.0222 (13) | 0.0314 (13) | 0.0179 (11) | −0.0092 (10) | −0.0018 (10) | −0.0024 (10) |
C4 | 0.0185 (12) | 0.0372 (14) | 0.0174 (11) | −0.0106 (11) | −0.0037 (9) | 0.0057 (10) |
C5 | 0.0152 (11) | 0.0322 (13) | 0.0225 (12) | −0.0010 (10) | −0.0018 (9) | 0.0042 (10) |
C6 | 0.0157 (11) | 0.0230 (11) | 0.0204 (11) | −0.0016 (9) | 0.0004 (9) | 0.0003 (9) |
C7 | 0.0143 (10) | 0.0138 (9) | 0.0141 (10) | −0.0011 (7) | 0.0026 (8) | 0.0004 (8) |
C8 | 0.0131 (10) | 0.0213 (10) | 0.0197 (11) | −0.0014 (8) | 0.0020 (9) | 0.0032 (9) |
C9 | 0.0180 (12) | 0.0261 (12) | 0.0202 (11) | −0.0034 (9) | 0.0046 (9) | 0.0035 (10) |
C10 | 0.0241 (13) | 0.0261 (12) | 0.0167 (11) | −0.0035 (10) | 0.0014 (10) | 0.0049 (9) |
C11 | 0.0182 (11) | 0.0246 (11) | 0.0172 (11) | −0.0012 (9) | −0.0023 (9) | 0.0019 (9) |
C12 | 0.0156 (11) | 0.0199 (10) | 0.0158 (10) | −0.0022 (8) | −0.0006 (8) | 0.0005 (8) |
C13 | 0.0092 (9) | 0.0168 (9) | 0.0145 (10) | −0.0009 (7) | −0.0001 (7) | 0.0000 (8) |
C14 | 0.0148 (10) | 0.0176 (10) | 0.0164 (10) | −0.0017 (8) | 0.0037 (8) | −0.0023 (8) |
C15 | 0.0161 (11) | 0.0220 (11) | 0.0229 (12) | −0.0004 (9) | 0.0034 (9) | −0.0070 (9) |
C16 | 0.0128 (11) | 0.0166 (10) | 0.0392 (15) | 0.0009 (8) | 0.0002 (10) | −0.0038 (10) |
C17 | 0.0154 (11) | 0.0199 (11) | 0.0308 (14) | −0.0001 (8) | −0.0019 (10) | 0.0077 (10) |
C18 | 0.0179 (11) | 0.0222 (11) | 0.0161 (10) | −0.0016 (9) | −0.0007 (9) | 0.0040 (9) |
C19 | 0.0130 (10) | 0.0166 (9) | 0.0124 (9) | −0.0018 (8) | 0.0029 (8) | −0.0012 (8) |
C20 | 0.0131 (9) | 0.0130 (8) | 0.0133 (9) | −0.0012 (7) | 0.0037 (8) | −0.0009 (7) |
C21 | 0.0149 (10) | 0.0187 (10) | 0.0152 (10) | 0.0008 (8) | 0.0009 (8) | −0.0004 (8) |
C22 | 0.0120 (10) | 0.0226 (11) | 0.0208 (11) | 0.0003 (8) | 0.0036 (9) | −0.0024 (9) |
C23 | 0.0173 (11) | 0.0216 (10) | 0.0171 (11) | −0.0017 (8) | 0.0070 (9) | 0.0004 (9) |
C24 | 0.0173 (11) | 0.0185 (10) | 0.0143 (10) | −0.0011 (8) | 0.0023 (8) | 0.0024 (8) |
C25 | 0.0140 (10) | 0.0155 (9) | 0.0158 (10) | −0.0011 (7) | 0.0026 (8) | −0.0012 (8) |
C26 | 0.0128 (11) | 0.0310 (13) | 0.0219 (12) | 0.0033 (9) | −0.0001 (9) | 0.0027 (10) |
Au2 | 0.01186 (4) | 0.01782 (4) | 0.01527 (4) | 0.00124 (3) | 0.00427 (3) | 0.00212 (3) |
P2 | 0.0101 (2) | 0.0145 (2) | 0.0128 (2) | −0.00008 (18) | 0.0023 (2) | −0.00023 (19) |
S3 | 0.0224 (3) | 0.0227 (3) | 0.0229 (3) | 0.0085 (2) | 0.0076 (2) | 0.0013 (2) |
S4 | 0.0172 (3) | 0.0204 (3) | 0.0214 (3) | 0.0062 (2) | 0.0093 (2) | 0.0071 (2) |
C27 | 0.0111 (9) | 0.0135 (9) | 0.0168 (10) | −0.0002 (7) | 0.0022 (8) | −0.0008 (8) |
C28 | 0.0190 (11) | 0.0166 (9) | 0.0171 (11) | 0.0002 (8) | −0.0002 (9) | 0.0005 (8) |
C29 | 0.0180 (11) | 0.0162 (10) | 0.0246 (12) | 0.0013 (8) | −0.0004 (9) | 0.0030 (9) |
C30 | 0.0162 (11) | 0.0167 (10) | 0.0292 (13) | −0.0005 (8) | 0.0002 (10) | −0.0041 (9) |
C31 | 0.0193 (12) | 0.0215 (11) | 0.0195 (11) | −0.0006 (9) | 0.0006 (9) | −0.0058 (9) |
C32 | 0.0133 (10) | 0.0182 (10) | 0.0162 (10) | −0.0021 (8) | 0.0010 (8) | −0.0002 (8) |
C33 | 0.0146 (10) | 0.0160 (9) | 0.0125 (9) | −0.0012 (8) | 0.0012 (8) | 0.0001 (8) |
C34 | 0.0153 (11) | 0.0229 (11) | 0.0193 (11) | 0.0003 (9) | 0.0005 (9) | −0.0036 (9) |
C35 | 0.0146 (11) | 0.0292 (13) | 0.0250 (13) | 0.0022 (9) | −0.0048 (10) | 0.0012 (10) |
C36 | 0.0200 (12) | 0.0266 (12) | 0.0195 (11) | −0.0089 (10) | −0.0055 (9) | 0.0044 (10) |
C37 | 0.0300 (14) | 0.0207 (11) | 0.0197 (12) | −0.0058 (10) | 0.0002 (10) | −0.0041 (9) |
C38 | 0.0186 (11) | 0.0188 (10) | 0.0195 (11) | −0.0016 (8) | −0.0001 (9) | −0.0011 (9) |
C39 | 0.0135 (10) | 0.0139 (9) | 0.0140 (9) | −0.0001 (7) | 0.0027 (8) | −0.0002 (7) |
C40 | 0.0156 (11) | 0.0177 (10) | 0.0196 (11) | 0.0004 (8) | 0.0051 (9) | −0.0003 (8) |
C41 | 0.0195 (12) | 0.0203 (10) | 0.0190 (11) | −0.0029 (9) | 0.0080 (9) | −0.0008 (9) |
C42 | 0.0277 (13) | 0.0207 (11) | 0.0129 (10) | −0.0031 (9) | 0.0028 (9) | 0.0029 (8) |
C43 | 0.0200 (11) | 0.0218 (11) | 0.0142 (10) | −0.0004 (9) | −0.0024 (9) | 0.0021 (9) |
C44 | 0.0137 (10) | 0.0185 (10) | 0.0160 (10) | −0.0010 (8) | 0.0010 (8) | −0.0001 (8) |
C45 | 0.0135 (10) | 0.0162 (9) | 0.0123 (9) | 0.0007 (7) | −0.0003 (8) | −0.0021 (8) |
C46 | 0.0137 (10) | 0.0136 (9) | 0.0149 (10) | −0.0004 (7) | 0.0015 (8) | −0.0008 (7) |
C47 | 0.0135 (10) | 0.0225 (11) | 0.0173 (11) | 0.0008 (8) | −0.0010 (8) | 0.0040 (9) |
C48 | 0.0140 (11) | 0.0305 (13) | 0.0212 (12) | −0.0003 (9) | 0.0028 (9) | 0.0032 (10) |
C49 | 0.0174 (11) | 0.0272 (12) | 0.0191 (11) | −0.0018 (9) | 0.0062 (9) | 0.0026 (10) |
C50 | 0.0194 (11) | 0.0183 (10) | 0.0146 (10) | 0.0012 (8) | 0.0002 (9) | 0.0022 (8) |
C51 | 0.0150 (10) | 0.0139 (9) | 0.0152 (10) | 0.0011 (7) | −0.0007 (8) | −0.0005 (8) |
C52 | 0.0150 (11) | 0.0262 (12) | 0.0214 (12) | 0.0032 (9) | −0.0027 (9) | −0.0001 (10) |
Au1—P1 | 2.2568 (6) | Au2—P2 | 2.2632 (6) |
Au1—S2 | 2.3240 (6) | Au2—S4 | 2.3329 (6) |
P1—C7 | 1.809 (2) | P2—C39 | 1.815 (2) |
P1—C1 | 1.813 (3) | P2—C33 | 1.815 (3) |
P1—C13 | 1.820 (2) | P2—C27 | 1.816 (2) |
S1—C19 | 1.648 (2) | S3—C45 | 1.645 (2) |
S2—C19 | 1.716 (2) | S4—C45 | 1.734 (2) |
C1—C6 | 1.396 (4) | C27—C32 | 1.391 (3) |
C1—C2 | 1.400 (3) | C27—C28 | 1.403 (3) |
C2—C3 | 1.387 (4) | C28—C29 | 1.394 (3) |
C2—H2 | 0.95 | C28—H28 | 0.95 |
C3—C4 | 1.390 (4) | C29—C30 | 1.394 (4) |
C3—H3 | 0.95 | C29—H29 | 0.95 |
C4—C5 | 1.389 (4) | C30—C31 | 1.386 (4) |
C4—H4 | 0.95 | C30—H30 | 0.95 |
C5—C6 | 1.389 (4) | C31—C32 | 1.397 (3) |
C5—H5 | 0.95 | C31—H31 | 0.95 |
C6—H6 | 0.95 | C32—H32 | 0.95 |
C7—C12 | 1.390 (3) | C33—C34 | 1.399 (3) |
C7—C8 | 1.406 (3) | C33—C38 | 1.399 (3) |
C8—C9 | 1.390 (4) | C34—C35 | 1.391 (4) |
C8—H8 | 0.95 | C34—H34 | 0.95 |
C9—C10 | 1.382 (4) | C35—C36 | 1.393 (4) |
C9—H9 | 0.95 | C35—H35 | 0.95 |
C10—C11 | 1.394 (4) | C36—C37 | 1.392 (4) |
C10—H10 | 0.95 | C36—H36 | 0.95 |
C11—C12 | 1.391 (3) | C37—C38 | 1.380 (4) |
C11—H11 | 0.95 | C37—H37 | 0.95 |
C12—H12 | 0.95 | C38—H38 | 0.95 |
C13—C14 | 1.393 (3) | C39—C44 | 1.395 (3) |
C13—C18 | 1.399 (3) | C39—C40 | 1.400 (3) |
C14—C15 | 1.397 (3) | C40—C41 | 1.391 (3) |
C14—H14 | 0.95 | C40—H40 | 0.95 |
C15—C16 | 1.379 (4) | C41—C42 | 1.384 (4) |
C15—H15 | 0.95 | C41—H41 | 0.95 |
C16—C17 | 1.397 (4) | C42—C43 | 1.393 (4) |
C16—H16 | 0.95 | C42—H42 | 0.95 |
C17—C18 | 1.387 (4) | C43—C44 | 1.390 (3) |
C17—H17 | 0.95 | C43—H43 | 0.95 |
C18—H18 | 0.95 | C44—H44 | 0.95 |
C19—C20 | 1.492 (3) | C45—C46 | 1.496 (3) |
C20—C21 | 1.395 (3) | C46—C47 | 1.405 (3) |
C20—C25 | 1.404 (3) | C46—C51 | 1.417 (3) |
C21—C22 | 1.389 (3) | C47—C48 | 1.387 (3) |
C21—H21 | 0.95 | C47—H47 | 0.95 |
C22—C23 | 1.391 (4) | C48—C49 | 1.387 (4) |
C22—H22 | 0.95 | C48—H48 | 0.95 |
C23—C24 | 1.383 (4) | C49—C50 | 1.387 (4) |
C23—H23 | 0.95 | C49—H49 | 0.95 |
C24—C25 | 1.396 (3) | C50—C51 | 1.396 (3) |
C24—H24 | 0.95 | C50—H50 | 0.95 |
C25—C26 | 1.501 (4) | C51—C52 | 1.499 (4) |
C26—H26A | 0.98 | C52—H52A | 0.98 |
C26—H26B | 0.98 | C52—H52B | 0.98 |
C26—H26C | 0.98 | C52—H52C | 0.98 |
P1—Au1—S2 | 175.03 (2) | P2—Au2—S4 | 173.83 (2) |
C7—P1—C1 | 107.26 (11) | C39—P2—C33 | 106.03 (11) |
C7—P1—C13 | 104.10 (11) | C39—P2—C27 | 104.85 (10) |
C1—P1—C13 | 104.91 (11) | C33—P2—C27 | 105.99 (11) |
C7—P1—Au1 | 116.33 (8) | C39—P2—Au2 | 119.82 (8) |
C1—P1—Au1 | 110.01 (8) | C33—P2—Au2 | 108.08 (8) |
C13—P1—Au1 | 113.41 (7) | C27—P2—Au2 | 111.19 (7) |
C19—S2—Au1 | 101.06 (8) | C45—S4—Au2 | 101.31 (8) |
C6—C1—C2 | 119.0 (2) | C32—C27—C28 | 119.6 (2) |
C6—C1—P1 | 122.83 (19) | C32—C27—P2 | 122.70 (18) |
C2—C1—P1 | 118.13 (19) | C28—C27—P2 | 117.64 (18) |
C3—C2—C1 | 120.3 (3) | C29—C28—C27 | 120.2 (2) |
C3—C2—H2 | 119.9 | C29—C28—H28 | 119.9 |
C1—C2—H2 | 119.9 | C27—C28—H28 | 119.9 |
C2—C3—C4 | 120.4 (3) | C30—C29—C28 | 119.6 (2) |
C2—C3—H3 | 119.8 | C30—C29—H29 | 120.2 |
C4—C3—H3 | 119.8 | C28—C29—H29 | 120.2 |
C5—C4—C3 | 119.6 (3) | C31—C30—C29 | 120.5 (2) |
C5—C4—H4 | 120.2 | C31—C30—H30 | 119.8 |
C3—C4—H4 | 120.2 | C29—C30—H30 | 119.8 |
C4—C5—C6 | 120.4 (3) | C30—C31—C32 | 120.1 (2) |
C4—C5—H5 | 119.8 | C30—C31—H31 | 119.9 |
C6—C5—H5 | 119.8 | C32—C31—H31 | 119.9 |
C5—C6—C1 | 120.3 (2) | C27—C32—C31 | 120.0 (2) |
C5—C6—H6 | 119.8 | C27—C32—H32 | 120 |
C1—C6—H6 | 119.8 | C31—C32—H32 | 120 |
C12—C7—C8 | 119.9 (2) | C34—C33—C38 | 119.4 (2) |
C12—C7—P1 | 118.90 (17) | C34—C33—P2 | 123.35 (18) |
C8—C7—P1 | 121.07 (19) | C38—C33—P2 | 117.20 (18) |
C9—C8—C7 | 119.3 (2) | C35—C34—C33 | 120.0 (2) |
C9—C8—H8 | 120.4 | C35—C34—H34 | 120 |
C7—C8—H8 | 120.4 | C33—C34—H34 | 120 |
C10—C9—C8 | 120.6 (2) | C34—C35—C36 | 120.4 (2) |
C10—C9—H9 | 119.7 | C34—C35—H35 | 119.8 |
C8—C9—H9 | 119.7 | C36—C35—H35 | 119.8 |
C9—C10—C11 | 120.3 (2) | C37—C36—C35 | 119.2 (2) |
C9—C10—H10 | 119.9 | C37—C36—H36 | 120.4 |
C11—C10—H10 | 119.9 | C35—C36—H36 | 120.4 |
C12—C11—C10 | 119.6 (2) | C38—C37—C36 | 121.0 (2) |
C12—C11—H11 | 120.2 | C38—C37—H37 | 119.5 |
C10—C11—H11 | 120.2 | C36—C37—H37 | 119.5 |
C7—C12—C11 | 120.4 (2) | C37—C38—C33 | 120.0 (2) |
C7—C12—H12 | 119.8 | C37—C38—H38 | 120 |
C11—C12—H12 | 119.8 | C33—C38—H38 | 120 |
C14—C13—C18 | 119.7 (2) | C44—C39—C40 | 119.8 (2) |
C14—C13—P1 | 121.91 (18) | C44—C39—P2 | 119.45 (17) |
C18—C13—P1 | 118.41 (18) | C40—C39—P2 | 120.63 (19) |
C13—C14—C15 | 119.6 (2) | C41—C40—C39 | 119.8 (2) |
C13—C14—H14 | 120.2 | C41—C40—H40 | 120.1 |
C15—C14—H14 | 120.2 | C39—C40—H40 | 120.1 |
C16—C15—C14 | 120.7 (2) | C42—C41—C40 | 120.2 (2) |
C16—C15—H15 | 119.7 | C42—C41—H41 | 119.9 |
C14—C15—H15 | 119.7 | C40—C41—H41 | 119.9 |
C15—C16—C17 | 119.9 (2) | C41—C42—C43 | 120.1 (2) |
C15—C16—H16 | 120.1 | C41—C42—H42 | 120 |
C17—C16—H16 | 120.1 | C43—C42—H42 | 120 |
C18—C17—C16 | 120.0 (2) | C44—C43—C42 | 120.2 (2) |
C18—C17—H17 | 120 | C44—C43—H43 | 119.9 |
C16—C17—H17 | 120 | C42—C43—H43 | 119.9 |
C17—C18—C13 | 120.1 (2) | C43—C44—C39 | 119.8 (2) |
C17—C18—H18 | 119.9 | C43—C44—H44 | 120.1 |
C13—C18—H18 | 119.9 | C39—C44—H44 | 120.1 |
C20—C19—S1 | 119.84 (17) | C46—C45—S3 | 121.71 (17) |
C20—C19—S2 | 113.59 (16) | C46—C45—S4 | 114.35 (16) |
S1—C19—S2 | 126.57 (13) | S3—C45—S4 | 123.93 (14) |
C21—C20—C25 | 120.6 (2) | C47—C46—C51 | 119.4 (2) |
C21—C20—C19 | 119.1 (2) | C47—C46—C45 | 118.2 (2) |
C25—C20—C19 | 120.4 (2) | C51—C46—C45 | 122.3 (2) |
C22—C21—C20 | 120.7 (2) | C48—C47—C46 | 121.4 (2) |
C22—C21—H21 | 119.7 | C48—C47—H47 | 119.3 |
C20—C21—H21 | 119.7 | C46—C47—H47 | 119.3 |
C21—C22—C23 | 119.1 (2) | C47—C48—C49 | 119.3 (2) |
C21—C22—H22 | 120.4 | C47—C48—H48 | 120.3 |
C23—C22—H22 | 120.4 | C49—C48—H48 | 120.3 |
C24—C23—C22 | 120.1 (2) | C50—C49—C48 | 119.8 (2) |
C24—C23—H23 | 120 | C50—C49—H49 | 120.1 |
C22—C23—H23 | 120 | C48—C49—H49 | 120.1 |
C23—C24—C25 | 122.0 (2) | C49—C50—C51 | 122.4 (2) |
C23—C24—H24 | 119 | C49—C50—H50 | 118.8 |
C25—C24—H24 | 119 | C51—C50—H50 | 118.8 |
C24—C25—C20 | 117.6 (2) | C50—C51—C46 | 117.7 (2) |
C24—C25—C26 | 120.9 (2) | C50—C51—C52 | 117.9 (2) |
C20—C25—C26 | 121.6 (2) | C46—C51—C52 | 124.4 (2) |
C25—C26—H26A | 109.5 | C51—C52—H52A | 109.5 |
C25—C26—H26B | 109.5 | C51—C52—H52B | 109.5 |
H26A—C26—H26B | 109.5 | H52A—C52—H52B | 109.5 |
C25—C26—H26C | 109.5 | C51—C52—H52C | 109.5 |
H26A—C26—H26C | 109.5 | H52A—C52—H52C | 109.5 |
H26B—C26—H26C | 109.5 | H52B—C52—H52C | 109.5 |
C7—P1—C1—C6 | −97.2 (2) | C39—P2—C27—C32 | −6.7 (2) |
C13—P1—C1—C6 | 13.1 (2) | C33—P2—C27—C32 | −118.6 (2) |
Au1—P1—C1—C6 | 135.42 (19) | Au2—P2—C27—C32 | 124.17 (18) |
C7—P1—C1—C2 | 83.1 (2) | C39—P2—C27—C28 | 175.00 (19) |
C13—P1—C1—C2 | −166.59 (18) | C33—P2—C27—C28 | 63.1 (2) |
Au1—P1—C1—C2 | −44.3 (2) | Au2—P2—C27—C28 | −54.1 (2) |
C6—C1—C2—C3 | 0.6 (4) | C32—C27—C28—C29 | 1.5 (4) |
P1—C1—C2—C3 | −179.7 (2) | P2—C27—C28—C29 | 179.8 (2) |
C1—C2—C3—C4 | −0.1 (4) | C27—C28—C29—C30 | −0.4 (4) |
C2—C3—C4—C5 | −0.8 (4) | C28—C29—C30—C31 | −0.6 (4) |
C3—C4—C5—C6 | 1.2 (4) | C29—C30—C31—C32 | 0.4 (4) |
C4—C5—C6—C1 | −0.6 (4) | C28—C27—C32—C31 | −1.7 (4) |
C2—C1—C6—C5 | −0.2 (4) | P2—C27—C32—C31 | −179.93 (19) |
P1—C1—C6—C5 | −179.93 (19) | C30—C31—C32—C27 | 0.7 (4) |
C1—P1—C7—C12 | −157.40 (19) | C39—P2—C33—C34 | −92.4 (2) |
C13—P1—C7—C12 | 91.8 (2) | C27—P2—C33—C34 | 18.7 (2) |
Au1—P1—C7—C12 | −33.8 (2) | Au2—P2—C33—C34 | 137.94 (19) |
C1—P1—C7—C8 | 27.4 (2) | C39—P2—C33—C38 | 86.5 (2) |
C13—P1—C7—C8 | −83.4 (2) | C27—P2—C33—C38 | −162.39 (18) |
Au1—P1—C7—C8 | 151.03 (17) | Au2—P2—C33—C38 | −43.1 (2) |
C12—C7—C8—C9 | −1.1 (4) | C38—C33—C34—C35 | −0.8 (4) |
P1—C7—C8—C9 | 174.02 (19) | P2—C33—C34—C35 | 178.1 (2) |
C7—C8—C9—C10 | 0.2 (4) | C33—C34—C35—C36 | −0.1 (4) |
C8—C9—C10—C11 | 0.6 (4) | C34—C35—C36—C37 | 0.9 (4) |
C9—C10—C11—C12 | −0.4 (4) | C35—C36—C37—C38 | −0.8 (4) |
C8—C7—C12—C11 | 1.3 (4) | C36—C37—C38—C33 | −0.1 (4) |
P1—C7—C12—C11 | −173.97 (19) | C34—C33—C38—C37 | 0.9 (4) |
C10—C11—C12—C7 | −0.5 (4) | P2—C33—C38—C37 | −178.1 (2) |
C7—P1—C13—C14 | 3.2 (2) | C33—P2—C39—C44 | −150.84 (19) |
C1—P1—C13—C14 | −109.4 (2) | C27—P2—C39—C44 | 97.3 (2) |
Au1—P1—C13—C14 | 130.55 (18) | Au2—P2—C39—C44 | −28.4 (2) |
C7—P1—C13—C18 | −177.28 (19) | C33—P2—C39—C40 | 32.9 (2) |
C1—P1—C13—C18 | 70.2 (2) | C27—P2—C39—C40 | −79.0 (2) |
Au1—P1—C13—C18 | −49.9 (2) | Au2—P2—C39—C40 | 155.36 (16) |
C18—C13—C14—C15 | −1.7 (4) | C44—C39—C40—C41 | −0.6 (3) |
P1—C13—C14—C15 | 177.83 (19) | P2—C39—C40—C41 | 175.66 (18) |
C13—C14—C15—C16 | −0.2 (4) | C39—C40—C41—C42 | 0.4 (4) |
C14—C15—C16—C17 | 1.1 (4) | C40—C41—C42—C43 | 0.2 (4) |
C15—C16—C17—C18 | −0.2 (4) | C41—C42—C43—C44 | −0.7 (4) |
C16—C17—C18—C13 | −1.6 (4) | C42—C43—C44—C39 | 0.6 (4) |
C14—C13—C18—C17 | 2.6 (4) | C40—C39—C44—C43 | 0.1 (3) |
P1—C13—C18—C17 | −177.0 (2) | P2—C39—C44—C43 | −176.20 (18) |
Au1—S2—C19—C20 | 177.73 (16) | Au2—S4—C45—C46 | −178.23 (16) |
Au1—S2—C19—S1 | −3.05 (19) | Au2—S4—C45—S3 | 0.20 (17) |
S1—C19—C20—C21 | −106.6 (2) | S3—C45—C46—C47 | −134.9 (2) |
S2—C19—C20—C21 | 72.6 (3) | S4—C45—C46—C47 | 43.6 (3) |
S1—C19—C20—C25 | 73.0 (3) | S3—C45—C46—C51 | 46.6 (3) |
S2—C19—C20—C25 | −107.7 (2) | S4—C45—C46—C51 | −134.9 (2) |
C25—C20—C21—C22 | −1.6 (4) | C51—C46—C47—C48 | −0.5 (4) |
C19—C20—C21—C22 | 178.0 (2) | C45—C46—C47—C48 | −179.1 (2) |
C20—C21—C22—C23 | 0.8 (4) | C46—C47—C48—C49 | 1.2 (4) |
C21—C22—C23—C24 | 0.7 (4) | C47—C48—C49—C50 | −0.6 (4) |
C22—C23—C24—C25 | −1.5 (4) | C48—C49—C50—C51 | −0.7 (4) |
C23—C24—C25—C20 | 0.7 (4) | C49—C50—C51—C46 | 1.4 (4) |
C23—C24—C25—C26 | −178.5 (2) | C49—C50—C51—C52 | −178.4 (2) |
C21—C20—C25—C24 | 0.8 (3) | C47—C46—C51—C50 | −0.8 (3) |
C19—C20—C25—C24 | −178.8 (2) | C45—C46—C51—C50 | 177.7 (2) |
C21—C20—C25—C26 | −180.0 (2) | C47—C46—C51—C52 | 179.0 (2) |
C19—C20—C25—C26 | 0.4 (3) | C45—C46—C51—C52 | −2.5 (4) |