Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805036500/cf6461sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805036500/cf6461Isup2.hkl |
CCDC reference: 293849
Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2001); software used to prepare material for publication: SHELXTL.
[Au3Cl2(C25H22P2)2]ClO4 | Z = 2 |
Mr = 1529.98 | F(000) = 1448 |
Triclinic, P1 | Dx = 1.989 Mg m−3 |
Hall symbol: -P1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.8043 (10) Å | Cell parameters from 4862 reflections |
b = 15.1538 (16) Å | θ = 2.2–24.6° |
c = 18.8497 (19) Å | µ = 8.92 mm−1 |
α = 104.648 (2)° | T = 293 K |
β = 102.068 (2)° | Block, black |
γ = 101.456 (2)° | 0.4 × 0.3 × 0.15 mm |
V = 2554.3 (5) Å3 |
Bruker SMART CCD area-detector diffractometer | 9809 independent reflections |
Radiation source: fine-focus sealed tube | 7107 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.028 |
φ and ω scans | θmax = 26.0°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Bruker, 2003) | h = −12→11 |
Tmin = 0.050, Tmax = 0.262 | k = −18→8 |
13943 measured reflections | l = −21→23 |
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)] = 0.054 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.176 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.1057P)2] where P = (Fo2 + 2Fc2)/3 |
9809 reflections | (Δ/σ)max = 0.010 |
461 parameters | Δρmax = 2.18 e Å−3 |
324 restraints | Δρmin = −1.04 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 | 0.64415 (5) | 0.38640 (3) | 0.22806 (3) | 0.05829 (16) | |
Au2 | 0.96100 (5) | 0.46767 (3) | 0.23119 (2) | 0.05446 (16) | |
Au3 | 0.89526 (5) | 0.54314 (4) | 0.39019 (2) | 0.06019 (17) | |
C1 | 0.8285 (7) | 0.5909 (5) | 0.1157 (4) | 0.075 (4) | |
C2 | 0.8235 (8) | 0.5157 (5) | 0.0531 (5) | 0.121 (6) | |
H2 | 0.8826 | 0.4756 | 0.0590 | 0.145* | |
C3 | 0.7295 (10) | 0.5010 (7) | −0.0185 (5) | 0.153 (8) | |
H3 | 0.7262 | 0.4512 | −0.0601 | 0.183* | |
C4 | 0.6403 (10) | 0.5616 (8) | −0.0275 (6) | 0.165 (9) | |
H4 | 0.5780 | 0.5518 | −0.0750 | 0.198* | |
C5 | 0.6453 (9) | 0.6367 (8) | 0.0351 (6) | 0.135 (7) | |
H5 | 0.5862 | 0.6768 | 0.0292 | 0.162* | |
C6 | 0.7393 (8) | 0.6514 (6) | 0.1067 (5) | 0.116 (6) | |
H6 | 0.7426 | 0.7012 | 0.1483 | 0.139* | |
C7 | 1.1212 (6) | 0.6712 (4) | 0.1987 (3) | 0.056 (3) | |
C8 | 1.1298 (6) | 0.7552 (4) | 0.1809 (3) | 0.063 (3) | |
H8 | 1.0475 | 0.7768 | 0.1709 | 0.075* | |
C9 | 1.2611 (8) | 0.8071 (5) | 0.1780 (4) | 0.095 (5) | |
H9 | 1.2668 | 0.8634 | 0.1661 | 0.115* | |
C10 | 1.3839 (8) | 0.7749 (6) | 0.1930 (4) | 0.093 (4) | |
H10 | 1.4719 | 0.8097 | 0.1911 | 0.111* | |
C11 | 1.3753 (8) | 0.6909 (6) | 0.2108 (5) | 0.104 (5) | |
H11 | 1.4576 | 0.6694 | 0.2208 | 0.125* | |
C12 | 1.2440 (7) | 0.6390 (5) | 0.2137 (4) | 0.080 (4) | |
H12 | 1.2383 | 0.5827 | 0.2256 | 0.096* | |
C14 | 0.9322 (7) | 0.7742 (5) | 0.4349 (4) | 0.095 (5) | |
C15 | 0.8617 (8) | 0.8358 (6) | 0.4111 (5) | 0.108 (5) | |
H15 | 0.8328 | 0.8297 | 0.3595 | 0.129* | |
C16 | 0.8340 (9) | 0.9064 (6) | 0.4635 (6) | 0.143 (8) | |
H16 | 0.7863 | 0.9480 | 0.4474 | 0.172* | |
C17 | 0.8767 (10) | 0.9153 (7) | 0.5398 (6) | 0.128 (7) | |
H17 | 0.8579 | 0.9631 | 0.5753 | 0.153* | |
C18 | 0.9472 (10) | 0.8537 (6) | 0.5637 (5) | 0.220 (14) | |
H18 | 0.9761 | 0.8598 | 0.6153 | 0.264* | |
C19 | 0.9749 (8) | 0.7832 (5) | 0.5112 (4) | 0.158 (9) | |
H19 | 1.0226 | 0.7415 | 0.5273 | 0.190* | |
C20 | 1.1655 (5) | 0.7144 (4) | 0.3904 (3) | 0.084 (4) | |
C21 | 1.2378 (7) | 0.8060 (5) | 0.3931 (4) | 0.111 (6) | |
H21 | 1.1858 | 0.8502 | 0.3877 | 0.133* | |
C22 | 1.3890 (7) | 0.8307 (5) | 0.4038 (5) | 0.140 (7) | |
H22 | 1.4366 | 0.8911 | 0.4056 | 0.168* | |
C23 | 1.4679 (7) | 0.7637 (5) | 0.4119 (5) | 0.143 (8) | |
H23 | 1.5674 | 0.7800 | 0.4190 | 0.172* | |
C24 | 1.3956 (6) | 0.6720 (4) | 0.4093 (4) | 0.134 (7) | |
H24 | 1.4475 | 0.6279 | 0.4146 | 0.161* | |
C25 | 1.2444 (5) | 0.6474 (4) | 0.3985 (3) | 0.097 (5) | |
H25 | 1.1968 | 0.5870 | 0.3968 | 0.117* | |
C26 | 1.1746 (7) | 0.3515 (5) | 0.3166 (4) | 0.054 (3) | |
C27 | 1.1705 (8) | 0.3611 (5) | 0.3887 (5) | 0.118 (6) | |
H27 | 1.0822 | 0.3522 | 0.4003 | 0.142* | |
C28 | 1.2937 (9) | 0.3834 (5) | 0.4440 (4) | 0.154 (8) | |
H28 | 1.2909 | 0.3900 | 0.4941 | 0.185* | |
C29 | 1.4210 (8) | 0.3962 (5) | 0.4273 (4) | 0.116 (6) | |
H29 | 1.5066 | 0.4117 | 0.4657 | 0.139* | |
C30 | 1.4251 (8) | 0.3867 (5) | 0.3552 (5) | 0.144 (7) | |
H30 | 1.5135 | 0.3956 | 0.3436 | 0.172* | |
C31 | 1.3019 (8) | 0.3643 (5) | 0.2999 (4) | 0.122 (6) | |
H31 | 1.3047 | 0.3577 | 0.2498 | 0.147* | |
C32 | 1.0397 (10) | 0.2597 (7) | 0.1546 (5) | 0.068 (3) | |
C33 | 1.0676 (11) | 0.1728 (7) | 0.1492 (6) | 0.093 (4) | |
H33 | 1.0710 | 0.1489 | 0.1901 | 0.112* | |
C34 | 1.0902 (13) | 0.1216 (8) | 0.0830 (7) | 0.116 (6) | |
H34 | 1.1090 | 0.0630 | 0.0794 | 0.139* | |
C35 | 1.0851 (13) | 0.1571 (10) | 0.0223 (7) | 0.126 (6) | |
H35 | 1.1004 | 0.1225 | −0.0223 | 0.151* | |
C36 | 1.0573 (13) | 0.2439 (10) | 0.0277 (6) | 0.130 (7) | |
H36 | 1.0538 | 0.2679 | −0.0133 | 0.156* | |
C37 | 1.0346 (12) | 0.2952 (8) | 0.0938 (6) | 0.108 (5) | |
H37 | 1.0158 | 0.3538 | 0.0974 | 0.130* | |
C38 | 0.8702 (11) | 0.2498 (8) | 0.2642 (7) | 0.054 (3) | |
H38A | 0.8835 | 0.1865 | 0.2513 | 0.065* | |
H38B | 0.8814 | 0.2712 | 0.3186 | 0.065* | |
C39 | 0.6647 (8) | 0.1799 (6) | 0.1155 (4) | 0.079 (4) | |
C40 | 0.7017 (8) | 0.0974 (7) | 0.0977 (5) | 0.101 (5) | |
H40 | 0.7376 | 0.0730 | 0.1361 | 0.121* | |
C41 | 0.6866 (11) | 0.0504 (8) | 0.0240 (7) | 0.131 (7) | |
H41 | 0.7121 | −0.0064 | 0.0118 | 0.158* | |
C42 | 0.6345 (11) | 0.0859 (9) | −0.0318 (7) | 0.148 (8) | |
H42 | 0.6241 | 0.0535 | −0.0824 | 0.178* | |
C43 | 0.5974 (12) | 0.1684 (10) | −0.0139 (7) | 0.222 (14) | |
H43 | 0.5616 | 0.1929 | −0.0523 | 0.267* | |
C44 | 0.6126 (12) | 0.2155 (8) | 0.0597 (6) | 0.149 (8) | |
H44 | 0.5871 | 0.2722 | 0.0720 | 0.179* | |
C45 | 0.5753 (8) | 0.1668 (5) | 0.2502 (4) | 0.063 (3) | |
C46 | 0.4312 (8) | 0.1355 (7) | 0.2142 (5) | 0.157 (9) | |
H46 | 0.3948 | 0.1503 | 0.1703 | 0.189* | |
C47 | 0.3402 (10) | 0.0825 (9) | 0.2424 (6) | 0.156 (8) | |
H47 | 0.2418 | 0.0611 | 0.2178 | 0.187* | |
C48 | 0.3934 (13) | 0.0608 (8) | 0.3067 (7) | 0.109 (5) | |
H48 | 0.3313 | 0.0245 | 0.3260 | 0.131* | |
C49 | 0.5376 (13) | 0.0920 (9) | 0.3427 (7) | 0.196 (11) | |
H49 | 0.5739 | 0.0772 | 0.3866 | 0.235* | |
C50 | 0.6285 (10) | 0.1450 (8) | 0.3145 (5) | 0.152 (8) | |
H50 | 0.7270 | 0.1664 | 0.3391 | 0.182* | |
Cl1 | 0.8212 (3) | 0.4101 (2) | 0.42315 (17) | 0.0690 (8) | |
Cl2 | 0.5704 (4) | 0.5216 (2) | 0.2358 (2) | 0.0825 (10) | |
Cl3 | 0.8987 (7) | 0.9437 (3) | 0.2244 (4) | 0.1187 (17) | |
O1 | 0.956 (3) | 0.9321 (18) | 0.1647 (13) | 0.237 (10) | |
O2 | 0.902 (2) | 1.0374 (11) | 0.2532 (11) | 0.197 (7) | |
O3 | 0.772 (2) | 0.8917 (18) | 0.2228 (16) | 0.246 (10) | |
O4 | 1.0097 (16) | 0.9200 (10) | 0.2781 (8) | 0.137 (5) | |
P1 | 0.6885 (3) | 0.2452 (2) | 0.21414 (17) | 0.0528 (7) | |
P2 | 1.0112 (3) | 0.32851 (19) | 0.24149 (16) | 0.0476 (6) | |
P3 | 0.9732 (4) | 0.6835 (2) | 0.37259 (17) | 0.0641 (8) | |
P4 | 0.9514 (3) | 0.6079 (2) | 0.20545 (16) | 0.0529 (7) | |
C13 | 0.9044 (12) | 0.6881 (8) | 0.2776 (6) | 0.058 (3) | |
H13A | 0.7998 | 0.6744 | 0.2657 | 0.070* | |
H13B | 0.9408 | 0.7519 | 0.2765 | 0.070* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Au1 | 0.0581 (3) | 0.0564 (3) | 0.0675 (3) | 0.0204 (2) | 0.0146 (2) | 0.0293 (2) |
Au2 | 0.0761 (3) | 0.0360 (2) | 0.0535 (3) | 0.0107 (2) | 0.0187 (2) | 0.0200 (2) |
Au3 | 0.0683 (3) | 0.0664 (3) | 0.0466 (3) | 0.0085 (2) | 0.0200 (2) | 0.0224 (2) |
C1 | 0.107 (8) | 0.062 (7) | 0.047 (6) | 0.001 (6) | 0.013 (5) | 0.023 (5) |
C2 | 0.135 (10) | 0.119 (10) | 0.098 (9) | 0.013 (8) | 0.025 (7) | 0.039 (8) |
C3 | 0.163 (12) | 0.154 (12) | 0.135 (11) | 0.021 (9) | 0.039 (9) | 0.051 (9) |
C4 | 0.167 (12) | 0.173 (12) | 0.145 (12) | 0.029 (9) | 0.020 (8) | 0.064 (9) |
C5 | 0.126 (10) | 0.145 (11) | 0.136 (10) | 0.043 (8) | 0.015 (8) | 0.060 (9) |
C6 | 0.128 (9) | 0.125 (10) | 0.087 (8) | 0.018 (8) | 0.011 (7) | 0.048 (8) |
C7 | 0.077 (6) | 0.043 (5) | 0.052 (6) | 0.016 (5) | 0.022 (5) | 0.019 (5) |
C8 | 0.081 (6) | 0.053 (6) | 0.073 (6) | 0.025 (5) | 0.033 (5) | 0.036 (5) |
C9 | 0.115 (8) | 0.076 (8) | 0.108 (8) | 0.021 (6) | 0.043 (7) | 0.042 (7) |
C10 | 0.085 (7) | 0.096 (8) | 0.108 (8) | 0.016 (6) | 0.037 (6) | 0.048 (7) |
C11 | 0.104 (8) | 0.104 (9) | 0.117 (9) | 0.019 (7) | 0.045 (7) | 0.052 (7) |
C12 | 0.087 (7) | 0.068 (7) | 0.098 (8) | 0.034 (6) | 0.034 (6) | 0.031 (6) |
C14 | 0.103 (8) | 0.094 (8) | 0.080 (8) | 0.002 (7) | 0.035 (6) | 0.027 (7) |
C15 | 0.101 (8) | 0.103 (9) | 0.117 (9) | 0.020 (7) | 0.056 (7) | 0.013 (7) |
C16 | 0.142 (11) | 0.137 (11) | 0.144 (11) | 0.018 (8) | 0.046 (8) | 0.038 (9) |
C17 | 0.130 (10) | 0.123 (10) | 0.129 (10) | 0.037 (8) | 0.056 (8) | 0.017 (8) |
C18 | 0.230 (16) | 0.221 (16) | 0.213 (16) | 0.076 (10) | 0.047 (10) | 0.072 (10) |
C19 | 0.178 (12) | 0.154 (12) | 0.144 (12) | 0.070 (9) | 0.038 (9) | 0.032 (9) |
C20 | 0.087 (7) | 0.086 (8) | 0.077 (7) | −0.001 (6) | 0.020 (6) | 0.042 (6) |
C21 | 0.112 (9) | 0.116 (10) | 0.095 (8) | 0.002 (7) | 0.044 (7) | 0.029 (7) |
C22 | 0.132 (10) | 0.147 (11) | 0.142 (11) | 0.003 (8) | 0.061 (8) | 0.053 (9) |
C23 | 0.119 (10) | 0.152 (11) | 0.157 (11) | 0.038 (8) | 0.016 (8) | 0.061 (9) |
C24 | 0.101 (9) | 0.150 (11) | 0.155 (11) | 0.048 (8) | 0.019 (7) | 0.054 (8) |
C25 | 0.088 (8) | 0.124 (9) | 0.093 (8) | 0.033 (7) | 0.026 (6) | 0.049 (7) |
C26 | 0.054 (5) | 0.051 (6) | 0.060 (6) | 0.009 (4) | 0.021 (4) | 0.021 (5) |
C27 | 0.089 (8) | 0.166 (11) | 0.100 (9) | 0.042 (8) | 0.014 (7) | 0.045 (8) |
C28 | 0.134 (11) | 0.184 (12) | 0.144 (11) | 0.025 (8) | 0.054 (9) | 0.050 (9) |
C29 | 0.108 (9) | 0.131 (10) | 0.103 (9) | 0.012 (7) | 0.037 (7) | 0.034 (8) |
C30 | 0.119 (10) | 0.181 (12) | 0.132 (10) | 0.019 (8) | 0.060 (8) | 0.044 (8) |
C31 | 0.086 (8) | 0.166 (11) | 0.109 (9) | 0.021 (7) | 0.026 (7) | 0.042 (8) |
C32 | 0.071 (6) | 0.055 (6) | 0.075 (7) | 0.005 (5) | 0.027 (5) | 0.017 (6) |
C33 | 0.107 (8) | 0.073 (8) | 0.099 (8) | 0.020 (6) | 0.055 (7) | 0.006 (6) |
C34 | 0.114 (9) | 0.117 (10) | 0.119 (9) | 0.034 (7) | 0.050 (7) | 0.025 (8) |
C35 | 0.135 (10) | 0.125 (10) | 0.110 (9) | 0.021 (8) | 0.058 (8) | 0.013 (8) |
C36 | 0.143 (10) | 0.140 (11) | 0.115 (10) | 0.023 (8) | 0.058 (8) | 0.044 (8) |
C37 | 0.139 (9) | 0.114 (9) | 0.077 (8) | 0.017 (7) | 0.052 (7) | 0.033 (7) |
C38 | 0.060 (5) | 0.047 (5) | 0.063 (6) | 0.012 (4) | 0.025 (5) | 0.028 (5) |
C39 | 0.079 (7) | 0.079 (7) | 0.082 (7) | 0.019 (6) | 0.029 (6) | 0.024 (6) |
C40 | 0.094 (8) | 0.096 (9) | 0.099 (8) | 0.028 (7) | 0.029 (7) | 0.005 (7) |
C41 | 0.121 (10) | 0.129 (11) | 0.135 (10) | 0.027 (8) | 0.049 (8) | 0.020 (8) |
C42 | 0.161 (11) | 0.150 (12) | 0.134 (11) | 0.019 (8) | 0.064 (9) | 0.041 (9) |
C43 | 0.257 (16) | 0.221 (16) | 0.200 (16) | 0.052 (10) | 0.076 (10) | 0.081 (11) |
C44 | 0.197 (12) | 0.133 (11) | 0.122 (10) | 0.044 (9) | 0.040 (8) | 0.049 (9) |
C45 | 0.063 (6) | 0.057 (6) | 0.070 (6) | 0.010 (5) | 0.022 (5) | 0.022 (5) |
C46 | 0.151 (11) | 0.156 (12) | 0.166 (12) | 0.015 (8) | 0.057 (9) | 0.062 (9) |
C47 | 0.147 (11) | 0.154 (12) | 0.173 (12) | 0.025 (8) | 0.059 (9) | 0.059 (9) |
C48 | 0.106 (9) | 0.116 (9) | 0.113 (9) | 0.009 (7) | 0.048 (7) | 0.048 (8) |
C49 | 0.193 (14) | 0.201 (14) | 0.200 (14) | 0.028 (9) | 0.059 (10) | 0.089 (10) |
C50 | 0.146 (11) | 0.167 (12) | 0.152 (11) | 0.018 (8) | 0.045 (8) | 0.079 (9) |
Cl1 | 0.0763 (18) | 0.074 (2) | 0.0641 (19) | 0.0140 (16) | 0.0257 (15) | 0.0333 (17) |
Cl2 | 0.0719 (19) | 0.063 (2) | 0.117 (3) | 0.0266 (16) | 0.0153 (19) | 0.037 (2) |
Cl3 | 0.170 (5) | 0.059 (2) | 0.157 (5) | 0.042 (3) | 0.076 (4) | 0.049 (3) |
O1 | 0.319 (19) | 0.229 (17) | 0.198 (15) | 0.068 (14) | 0.114 (14) | 0.092 (13) |
O2 | 0.284 (16) | 0.093 (9) | 0.227 (15) | 0.096 (10) | 0.046 (12) | 0.059 (10) |
O3 | 0.194 (15) | 0.211 (16) | 0.323 (19) | 0.021 (13) | 0.078 (14) | 0.084 (15) |
O4 | 0.177 (11) | 0.121 (10) | 0.136 (10) | 0.082 (9) | 0.041 (8) | 0.047 (8) |
P1 | 0.0547 (15) | 0.0506 (17) | 0.0582 (17) | 0.0144 (13) | 0.0192 (13) | 0.0219 (15) |
P2 | 0.0560 (15) | 0.0370 (14) | 0.0553 (16) | 0.0120 (12) | 0.0219 (13) | 0.0182 (13) |
P3 | 0.075 (2) | 0.063 (2) | 0.0475 (17) | −0.0001 (16) | 0.0216 (14) | 0.0150 (16) |
P4 | 0.0771 (19) | 0.0380 (15) | 0.0444 (15) | 0.0102 (13) | 0.0150 (13) | 0.0191 (13) |
C13 | 0.065 (6) | 0.051 (6) | 0.061 (6) | 0.008 (5) | 0.015 (5) | 0.028 (5) |
Au1—P1 | 2.230 (3) | C26—P2 | 1.809 (8) |
Au1—Cl2 | 2.286 (3) | C27—C28 | 1.3393 (17) |
Au1—Au2 | 3.0883 (7) | C27—H27 | 0.930 |
Au2—P2 | 2.304 (3) | C28—C29 | 1.3392 (16) |
Au2—P4 | 2.311 (3) | C28—H28 | 0.930 |
Au2—Au3 | 3.1738 (7) | C29—C30 | 1.3393 (16) |
Au3—P3 | 2.243 (3) | C29—H29 | 0.930 |
Au3—Cl1 | 2.285 (3) | C30—C31 | 1.3393 (16) |
C1—C2 | 1.403 (3) | C30—H30 | 0.930 |
C1—C6 | 1.403 (3) | C31—H31 | 0.930 |
C1—P4 | 1.784 (7) | C32—C33 | 1.379 (7) |
C2—C3 | 1.403 (3) | C32—C37 | 1.380 (7) |
C2—H2 | 0.930 | C32—P2 | 1.815 (9) |
C3—C4 | 1.403 (2) | C33—C34 | 1.380 (7) |
C3—H3 | 0.930 | C33—H33 | 0.930 |
C4—C5 | 1.403 (3) | C34—C35 | 1.380 (7) |
C4—H4 | 0.930 | C34—H34 | 0.930 |
C5—C6 | 1.403 (2) | C35—C36 | 1.380 (7) |
C5—H5 | 0.930 | C35—H35 | 0.930 |
C6—H6 | 0.930 | C36—C37 | 1.379 (7) |
C7—C8 | 1.388 (2) | C36—H36 | 0.930 |
C7—C12 | 1.388 (2) | C37—H37 | 0.930 |
C7—P4 | 1.795 (6) | C38—P1 | 1.812 (11) |
C8—C9 | 1.388 (3) | C38—P2 | 1.835 (10) |
C8—H8 | 0.930 | C38—H38A | 0.970 |
C9—C10 | 1.388 (2) | C38—H38B | 0.970 |
C9—H9 | 0.930 | C39—C40 | 1.352 (3) |
C10—C11 | 1.388 (2) | C39—C44 | 1.352 (3) |
C10—H10 | 0.930 | C39—P1 | 1.813 (8) |
C11—C12 | 1.388 (2) | C40—C41 | 1.352 (3) |
C11—H11 | 0.930 | C40—H40 | 0.930 |
C12—H12 | 0.930 | C41—C42 | 1.352 (3) |
C14—C19 | 1.3742 (17) | C41—H41 | 0.930 |
C14—C15 | 1.3742 (17) | C42—C43 | 1.352 (3) |
C14—P3 | 1.741 (8) | C42—H42 | 0.930 |
C15—C16 | 1.3742 (17) | C43—C44 | 1.352 (3) |
C15—H15 | 0.930 | C43—H43 | 0.930 |
C16—C17 | 1.3742 (17) | C44—H44 | 0.930 |
C16—H16 | 0.930 | C45—C46 | 1.361 (3) |
C17—C18 | 1.3741 (17) | C45—C50 | 1.361 (3) |
C17—H17 | 0.930 | C45—P1 | 1.818 (8) |
C18—C19 | 1.3742 (17) | C46—C47 | 1.361 (3) |
C18—H18 | 0.930 | C46—H46 | 0.930 |
C19—H19 | 0.930 | C47—C48 | 1.361 (3) |
C20—C25 | 1.4120 (17) | C47—H47 | 0.930 |
C20—C21 | 1.4121 (18) | C48—C49 | 1.361 (3) |
C20—P3 | 1.787 (6) | C48—H48 | 0.930 |
C21—C22 | 1.4120 (18) | C49—C50 | 1.361 (3) |
C21—H21 | 0.930 | C49—H49 | 0.930 |
C22—C23 | 1.4120 (17) | C50—H50 | 0.930 |
C22—H22 | 0.930 | Cl3—O3 | 1.33 (2) |
C23—C24 | 1.4120 (17) | Cl3—O1 | 1.34 (2) |
C23—H23 | 0.930 | Cl3—O2 | 1.378 (15) |
C24—C25 | 1.4120 (17) | Cl3—O4 | 1.490 (13) |
C24—H24 | 0.930 | P3—C13 | 1.801 (11) |
C25—H25 | 0.930 | P4—C13 | 1.785 (12) |
C26—C27 | 1.3393 (16) | C13—H13A | 0.970 |
C26—C31 | 1.3393 (16) | C13—H13B | 0.970 |
P1—Au1—Cl2 | 173.19 (11) | C26—C31—C30 | 120.0 |
P1—Au1—Au2 | 88.40 (7) | C26—C31—H31 | 120.0 |
Cl2—Au1—Au2 | 97.84 (9) | C30—C31—H31 | 120.0 |
P2—Au2—P4 | 166.55 (10) | C33—C32—C37 | 120.0 |
P2—Au2—Au1 | 89.71 (7) | C33—C32—P2 | 120.5 (6) |
P4—Au2—Au1 | 101.67 (8) | C37—C32—P2 | 119.5 (6) |
P2—Au2—Au3 | 100.00 (7) | C32—C33—C34 | 120.0 |
P4—Au2—Au3 | 91.15 (8) | C32—C33—H33 | 120.0 |
Au1—Au2—Au3 | 66.846 (16) | C34—C33—H33 | 120.0 |
P3—Au3—Cl1 | 173.15 (11) | C33—C34—C35 | 120.0 |
P3—Au3—Au2 | 81.96 (8) | C33—C34—H34 | 120.0 |
Cl1—Au3—Au2 | 104.52 (8) | C35—C34—H34 | 120.0 |
C2—C1—C6 | 120.0 | C36—C35—C34 | 120.0 |
C2—C1—P4 | 118.5 (3) | C36—C35—H35 | 120.0 |
C6—C1—P4 | 121.5 (3) | C34—C35—H35 | 120.0 |
C1—C2—C3 | 120.0 | C37—C36—C35 | 120.0 |
C1—C2—H2 | 120.0 | C37—C36—H36 | 120.0 |
C3—C2—H2 | 120.0 | C35—C36—H36 | 120.0 |
C2—C3—C4 | 120.0 | C36—C37—C32 | 120.0 |
C2—C3—H3 | 120.0 | C36—C37—H37 | 120.0 |
C4—C3—H3 | 120.0 | C32—C37—H37 | 120.0 |
C5—C4—C3 | 120.0 | P1—C38—P2 | 113.2 (6) |
C5—C4—H4 | 120.0 | P1—C38—H38A | 108.9 |
C3—C4—H4 | 120.0 | P2—C38—H38A | 108.9 |
C6—C5—C4 | 120.0 | P1—C38—H38B | 108.9 |
C6—C5—H5 | 120.0 | P2—C38—H38B | 108.9 |
C4—C5—H5 | 120.0 | H38A—C38—H38B | 107.7 |
C5—C6—C1 | 120.0 | C40—C39—C44 | 120.0 |
C5—C6—H6 | 120.0 | C40—C39—P1 | 120.5 (4) |
C1—C6—H6 | 120.0 | C44—C39—P1 | 119.5 (4) |
C8—C7—C12 | 120.0 | C41—C40—C39 | 120.0 |
C8—C7—P4 | 119.0 (3) | C41—C40—H40 | 120.0 |
C12—C7—P4 | 121.0 (3) | C39—C40—H40 | 120.0 |
C7—C8—C9 | 120.0 | C40—C41—C42 | 120.0 |
C7—C8—H8 | 120.0 | C40—C41—H41 | 120.0 |
C9—C8—H8 | 120.0 | C42—C41—H41 | 120.0 |
C10—C9—C8 | 120.0 | C41—C42—C43 | 120.0 |
C10—C9—H9 | 120.0 | C41—C42—H42 | 120.0 |
C8—C9—H9 | 120.0 | C43—C42—H42 | 120.0 |
C9—C10—C11 | 120.0 | C44—C43—C42 | 120.0 |
C9—C10—H10 | 120.0 | C44—C43—H43 | 120.0 |
C11—C10—H10 | 120.0 | C42—C43—H43 | 120.0 |
C12—C11—C10 | 120.0 | C43—C44—C39 | 120.0 |
C12—C11—H11 | 120.0 | C43—C44—H44 | 120.0 |
C10—C11—H11 | 120.0 | C39—C44—H44 | 120.0 |
C11—C12—C7 | 120.0 | C46—C45—C50 | 120.0 |
C11—C12—H12 | 120.0 | C46—C45—P1 | 117.7 (4) |
C7—C12—H12 | 120.0 | C50—C45—P1 | 122.1 (4) |
C19—C14—C15 | 120.0 | C47—C46—C45 | 120.0 |
C19—C14—P3 | 116.9 (2) | C47—C46—H46 | 120.0 |
C15—C14—P3 | 123.1 (2) | C45—C46—H46 | 120.0 |
C16—C15—C14 | 120.0 | C46—C47—C48 | 120.0 |
C16—C15—H15 | 120.0 | C46—C47—H47 | 120.0 |
C14—C15—H15 | 120.0 | C48—C47—H47 | 120.0 |
C15—C16—C17 | 120.0 | C47—C48—C49 | 120.0 |
C15—C16—H16 | 120.0 | C47—C48—H48 | 120.0 |
C17—C16—H16 | 120.0 | C49—C48—H48 | 120.0 |
C18—C17—C16 | 120.0 | C50—C49—C48 | 120.0 |
C18—C17—H17 | 120.0 | C50—C49—H49 | 120.0 |
C16—C17—H17 | 120.0 | C48—C49—H49 | 120.0 |
C17—C18—C19 | 120.0 | C49—C50—C45 | 120.0 |
C17—C18—H18 | 120.0 | C49—C50—H50 | 120.0 |
C19—C18—H18 | 120.0 | C45—C50—H50 | 120.0 |
C18—C19—C14 | 120.0 | O3—Cl3—O1 | 123.9 (17) |
C18—C19—H19 | 120.0 | O3—Cl3—O2 | 107.8 (15) |
C14—C19—H19 | 120.0 | O1—Cl3—O2 | 109.8 (14) |
C25—C20—C21 | 120.0 | O3—Cl3—O4 | 106.2 (13) |
C25—C20—P3 | 120.9 (2) | O1—Cl3—O4 | 99.0 (13) |
C21—C20—P3 | 119.0 (2) | O2—Cl3—O4 | 109.2 (10) |
C22—C21—C20 | 120.0 | C38—P1—C39 | 105.5 (5) |
C22—C21—H21 | 120.0 | C38—P1—C45 | 103.1 (4) |
C20—C21—H21 | 120.0 | C39—P1—C45 | 105.7 (4) |
C23—C22—C21 | 120.0 | C38—P1—Au1 | 114.2 (4) |
C23—C22—H22 | 120.0 | C39—P1—Au1 | 112.9 (3) |
C21—C22—H22 | 120.0 | C45—P1—Au1 | 114.5 (3) |
C22—C23—C24 | 120.0 | C26—P2—C32 | 106.6 (4) |
C22—C23—H23 | 120.0 | C26—P2—C38 | 105.6 (4) |
C24—C23—H23 | 120.0 | C32—P2—C38 | 106.4 (5) |
C25—C24—C23 | 120.0 | C26—P2—Au2 | 111.0 (2) |
C25—C24—H24 | 120.0 | C32—P2—Au2 | 112.1 (3) |
C23—C24—H24 | 120.0 | C38—P2—Au2 | 114.5 (4) |
C20—C25—C24 | 120.0 | C14—P3—C20 | 106.6 (3) |
C20—C25—H25 | 120.0 | C14—P3—C13 | 107.3 (5) |
C24—C25—H25 | 120.0 | C20—P3—C13 | 105.2 (4) |
C27—C26—C31 | 120.0 | C14—P3—Au3 | 111.9 (3) |
C27—C26—P2 | 121.1 (3) | C20—P3—Au3 | 110.3 (3) |
C31—C26—P2 | 118.8 (3) | C13—P3—Au3 | 115.0 (4) |
C28—C27—C26 | 120.0 | C1—P4—C13 | 108.4 (5) |
C28—C27—H27 | 120.0 | C1—P4—C7 | 103.8 (3) |
C26—C27—H27 | 120.0 | C13—P4—C7 | 105.7 (4) |
C29—C28—C27 | 120.0 | C1—P4—Au2 | 113.0 (3) |
C29—C28—H28 | 120.0 | C13—P4—Au2 | 112.5 (4) |
C27—C28—H28 | 120.0 | C7—P4—Au2 | 112.8 (2) |
C28—C29—C30 | 120.0 | P4—C13—P3 | 114.4 (6) |
C28—C29—H29 | 120.0 | P4—C13—H13A | 108.7 |
C30—C29—H29 | 120.0 | P3—C13—H13A | 108.7 |
C29—C30—C31 | 120.0 | P4—C13—H13B | 108.7 |
C29—C30—H30 | 120.0 | P3—C13—H13B | 108.7 |
C31—C30—H30 | 120.0 | H13A—C13—H13B | 107.6 |
P1—Au1—Au2—P2 | −10.83 (10) | C40—C39—P1—Au1 | 173.1 (4) |
Cl2—Au1—Au2—P2 | 171.92 (13) | C44—C39—P1—Au1 | −5.5 (3) |
P1—Au1—Au2—P4 | 161.95 (11) | C46—C45—P1—C38 | −169.1 (5) |
Cl2—Au1—Au2—P4 | −15.30 (13) | C50—C45—P1—C38 | 16.0 (5) |
P1—Au1—Au2—Au3 | −111.84 (8) | C46—C45—P1—C39 | −58.6 (7) |
Cl2—Au1—Au2—Au3 | 70.91 (11) | C50—C45—P1—C39 | 126.5 (4) |
P2—Au2—Au3—P3 | 152.35 (12) | C46—C45—P1—Au1 | 66.3 (4) |
P4—Au2—Au3—P3 | −20.08 (12) | C50—C45—P1—Au1 | −108.6 (3) |
Au1—Au2—Au3—P3 | −122.30 (9) | Cl2—Au1—P1—C38 | −169.1 (11) |
P2—Au2—Au3—Cl1 | −25.39 (11) | Au2—Au1—P1—C38 | 34.5 (4) |
P4—Au2—Au3—Cl1 | 162.17 (11) | Cl2—Au1—P1—C39 | 70.4 (11) |
Au1—Au2—Au3—Cl1 | 59.96 (8) | Au2—Au1—P1—C39 | −86.0 (3) |
C6—C1—C2—C3 | 0.0 | Cl2—Au1—P1—C45 | −50.6 (12) |
P4—C1—C2—C3 | −179.2 (2) | Au2—Au1—P1—C45 | 153.0 (3) |
C1—C2—C3—C4 | 0.0 | C27—C26—P2—C32 | −149.6 (3) |
C2—C3—C4—C5 | 0.0 | C31—C26—P2—C32 | 34.2 (4) |
C3—C4—C5—C6 | 0.0 | C27—C26—P2—C38 | −36.6 (5) |
C4—C5—C6—C1 | 0.0 | C31—C26—P2—C38 | 147.1 (4) |
C2—C1—C6—C5 | 0.0 | C27—C26—P2—Au2 | 88.1 (3) |
P4—C1—C6—C5 | 179.1 (2) | C31—C26—P2—Au2 | −88.2 (2) |
C12—C7—C8—C9 | 0.0 | C33—C32—P2—C26 | 60.0 (6) |
P4—C7—C8—C9 | 177.7 (3) | C37—C32—P2—C26 | −119.5 (6) |
C7—C8—C9—C10 | 0.0 | C33—C32—P2—C38 | −52.4 (7) |
C8—C9—C10—C11 | 0.0 | C37—C32—P2—C38 | 128.1 (6) |
C9—C10—C11—C12 | 0.0 | C33—C32—P2—Au2 | −178.4 (5) |
C10—C11—C12—C7 | 0.0 | C37—C32—P2—Au2 | 2.2 (6) |
C8—C7—C12—C11 | 0.0 | P1—C38—P2—C26 | 162.6 (5) |
P4—C7—C12—C11 | −177.7 (3) | P1—C38—P2—C32 | −84.3 (7) |
C19—C14—C15—C16 | 0.0 | P1—C38—P2—Au2 | 40.2 (7) |
P3—C14—C15—C16 | −179.4 (2) | P4—Au2—P2—C26 | 79.7 (5) |
C14—C15—C16—C17 | 0.0 | Au1—Au2—P2—C26 | −132.2 (3) |
C15—C16—C17—C18 | 0.0 | Au3—Au2—P2—C26 | −65.8 (3) |
C16—C17—C18—C19 | 0.0 | P4—Au2—P2—C32 | −39.4 (6) |
C17—C18—C19—C14 | 0.0 | Au1—Au2—P2—C32 | 108.6 (3) |
C15—C14—C19—C18 | 0.0 | Au3—Au2—P2—C32 | 175.0 (3) |
P3—C14—C19—C18 | 179.5 (2) | P4—Au2—P2—C38 | −160.8 (5) |
C25—C20—C21—C22 | 0.0 | Au1—Au2—P2—C38 | −12.8 (4) |
P3—C20—C21—C22 | −177.3 (3) | Au3—Au2—P2—C38 | 53.6 (4) |
C20—C21—C22—C23 | 0.0 | C19—C14—P3—C20 | −68.0 (4) |
C21—C22—C23—C24 | 0.0 | C15—C14—P3—C20 | 111.4 (3) |
C22—C23—C24—C25 | 0.0 | C19—C14—P3—C13 | 179.7 (4) |
C21—C20—C25—C24 | 0.0 | C15—C14—P3—C13 | −0.9 (5) |
P3—C20—C25—C24 | 177.2 (3) | C19—C14—P3—Au3 | 52.7 (3) |
C23—C24—C25—C20 | 0.0 | C15—C14—P3—Au3 | −127.91 (15) |
C31—C26—C27—C28 | 0.0 | C25—C20—P3—C14 | 133.4 (2) |
P2—C26—C27—C28 | −176.2 (3) | C21—C20—P3—C14 | −49.4 (4) |
C26—C27—C28—C29 | 0.0 | C25—C20—P3—C13 | −113.0 (4) |
C27—C28—C29—C30 | 0.0 | C21—C20—P3—C13 | 64.3 (5) |
C28—C29—C30—C31 | 0.0 | C25—C20—P3—Au3 | 11.7 (3) |
C27—C26—C31—C30 | 0.0 | C21—C20—P3—Au3 | −171.04 (15) |
P2—C26—C31—C30 | 176.3 (3) | Cl1—Au3—P3—C14 | −32.2 (11) |
C29—C30—C31—C26 | 0.0 | Au2—Au3—P3—C14 | 166.4 (3) |
C37—C32—C33—C34 | 0.0 | Cl1—Au3—P3—C20 | 86.3 (11) |
P2—C32—C33—C34 | −179.4 (7) | Au2—Au3—P3—C20 | −75.1 (2) |
C32—C33—C34—C35 | 0.0 | Cl1—Au3—P3—C13 | −154.9 (10) |
C33—C34—C35—C36 | 0.0 | Au2—Au3—P3—C13 | 43.7 (4) |
C34—C35—C36—C37 | 0.0 | C2—C1—P4—C13 | −166.3 (4) |
C35—C36—C37—C32 | 0.0 | C6—C1—P4—C13 | 14.6 (5) |
C33—C32—C37—C36 | 0.0 | C2—C1—P4—C7 | 81.7 (4) |
P2—C32—C37—C36 | 179.5 (7) | C6—C1—P4—C7 | −97.4 (4) |
C44—C39—C40—C41 | 0.0 | C2—C1—P4—Au2 | −40.9 (3) |
P1—C39—C40—C41 | −178.5 (3) | C6—C1—P4—Au2 | 140.0 (2) |
C39—C40—C41—C42 | 0.0 | C8—C7—P4—C1 | 55.1 (5) |
C40—C41—C42—C43 | 0.0 | C12—C7—P4—C1 | −127.2 (3) |
C41—C42—C43—C44 | 0.0 | C8—C7—P4—C13 | −58.8 (5) |
C42—C43—C44—C39 | 0.0 | C12—C7—P4—C13 | 118.9 (4) |
C40—C39—C44—C43 | 0.0 | C8—C7—P4—Au2 | 177.9 (3) |
P1—C39—C44—C43 | 178.5 (3) | C12—C7—P4—Au2 | −4.4 (3) |
C50—C45—C46—C47 | 0.0 | P2—Au2—P4—C1 | 87.5 (5) |
P1—C45—C46—C47 | −175.1 (3) | Au1—Au2—P4—C1 | −59.8 (3) |
C45—C46—C47—C48 | 0.0 | Au3—Au2—P4—C1 | −126.4 (3) |
C46—C47—C48—C49 | 0.0 | P2—Au2—P4—C13 | −149.4 (5) |
C47—C48—C49—C50 | 0.0 | Au1—Au2—P4—C13 | 63.3 (4) |
C48—C49—C50—C45 | 0.0 | Au3—Au2—P4—C13 | −3.2 (4) |
C46—C45—C50—C49 | 0.0 | P2—Au2—P4—C7 | −29.9 (5) |
P1—C45—C50—C49 | 174.8 (4) | Au1—Au2—P4—C7 | −177.2 (2) |
P2—C38—P1—C39 | 71.4 (7) | Au3—Au2—P4—C7 | 116.2 (2) |
P2—C38—P1—C45 | −178.0 (5) | C1—P4—C13—P3 | 160.0 (5) |
P2—C38—P1—Au1 | −53.2 (7) | C7—P4—C13—P3 | −89.2 (6) |
C40—C39—P1—C38 | 47.7 (6) | Au2—P4—C13—P3 | 34.4 (7) |
C44—C39—P1—C38 | −130.8 (4) | C14—P3—C13—P4 | 174.0 (5) |
C40—C39—P1—C45 | −61.1 (7) | C20—P3—C13—P4 | 60.8 (7) |
C44—C39—P1—C45 | 120.4 (4) | Au3—P3—C13—P4 | −60.8 (7) |