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The cation of the title compound, [Au
4(PPh
2CH
2PPhCH
2PPh
2)
2Cl
2][Au(C
6F
5)
3Cl]
2 or [Au
4Cl
2(C
32H
29P
3)
2][AuCl(C
6F
5)
3]
2, displays a rhomboidal geometry for the Au atoms, with short Au
Au distances of 3.104 (2) and 3.185 (1) Å; the linear coordination at the Au
I atoms is distorted: P-Au-P 164.7 (2)° and P-Au-Cl 170.67 (11)°. The anion shows the expected square-planar geometry at Au
III, with the Au atom 0.022 (5) Å out of the plane of the four donor atoms.
Supporting information
CCDC reference: 153926
Data collection: DIF4 (Stoe & Cie, 1988); cell refinement: DIF4; data reduction: REDU4 (Stoe & Cie, 1988); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); software used to prepare material for publication: SHELXL97.
Crystal data top
[Au4(C32H29P3)2Cl2][AuCl(C6F5)3]2 | Z = 1 |
Mr = 3338.88 | F(000) = 1560 |
Triclinic, P1 | Dx = 2.207 Mg m−3 |
a = 12.193 (6) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 14.439 (8) Å | Cell parameters from 52 reflections |
c = 16.531 (9) Å | θ = 9–11.5° |
α = 65.93 (2)° | µ = 9.03 mm−1 |
β = 86.36 (3)° | T = 173 K |
γ = 71.46 (3)° | Prism, colourless |
V = 2512 (2) Å3 | 0.34 × 0.30 × 0.23 mm |
Data collection top
Siemens–Stoe AED-2 diffractometer | 6194 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.060 |
Graphite monochromator | θmax = 25.0°, θmin = 3.1° |
ω/θ scans | h = −14→4 |
Absorption correction: ψ scan (XEMP; Siemens, 1990) | k = −17→17 |
Tmin = 0.039, Tmax = 0.125 | l = −19→19 |
12573 measured reflections | 3 standard reflections every 60 min |
8863 independent reflections | intensity decay: 4.5% |
Refinement top
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)] = 0.049 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.104 | H-atom parameters constrained |
S = 0.98 | w = 1/[σ2(Fo2) + (0.0493P)2] where P = (Fo2 + 2Fc2)/3 |
8863 reflections | (Δ/σ)max = 0.001 |
658 parameters | Δρmax = 2.44 e Å−3 |
40 restraints | Δρmin = −1.92 e Å−3 |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Au1 | 0.01597 (4) | 0.53497 (4) | 0.13997 (2) | 0.02311 (12) | |
Au2 | −0.15015 (4) | 0.51505 (4) | 0.01107 (3) | 0.02507 (12) | |
Au3 | 0.25340 (4) | 0.86948 (4) | 0.39366 (3) | 0.02417 (12) | |
P1 | −0.1287 (2) | 0.6986 (2) | 0.09338 (16) | 0.0206 (6) | |
P2 | −0.2138 (2) | 0.6919 (3) | −0.07028 (17) | 0.0234 (7) | |
P3 | 0.1508 (3) | 0.3723 (2) | 0.22389 (17) | 0.0246 (7) | |
Cl1 | 0.0671 (2) | 0.9926 (3) | 0.35046 (19) | 0.0356 (7) | |
Cl2 | −0.1161 (3) | 0.3360 (3) | 0.09273 (19) | 0.0395 (8) | |
F1 | 0.1882 (7) | 0.8070 (7) | 0.5991 (4) | 0.055 (2) | |
F2 | 0.2133 (7) | 0.8831 (8) | 0.7164 (4) | 0.069 (3) | |
F3 | 0.3106 (7) | 1.0410 (8) | 0.6708 (5) | 0.073 (3) | |
F4 | 0.3902 (8) | 1.1159 (7) | 0.5074 (5) | 0.065 (3) | |
F5 | 0.3665 (7) | 1.0388 (6) | 0.3888 (4) | 0.047 (2) | |
F6 | 0.3599 (6) | 0.6419 (7) | 0.5545 (4) | 0.060 (2) | |
F7 | 0.5756 (6) | 0.5058 (7) | 0.5979 (5) | 0.061 (2) | |
F8 | 0.7497 (6) | 0.5548 (7) | 0.4952 (5) | 0.067 (3) | |
F9 | 0.7041 (6) | 0.7395 (8) | 0.3494 (5) | 0.064 (2) | |
F10 | 0.4867 (6) | 0.8785 (6) | 0.3044 (4) | 0.0449 (19) | |
F11 | 0.2678 (6) | 0.9713 (6) | 0.1821 (4) | 0.0451 (19) | |
F12 | 0.2481 (7) | 0.9038 (7) | 0.0575 (4) | 0.056 (2) | |
F13 | 0.1957 (7) | 0.7217 (7) | 0.0997 (5) | 0.060 (2) | |
F14 | 0.1714 (7) | 0.6010 (7) | 0.2725 (6) | 0.059 (2) | |
F15 | 0.2001 (6) | 0.6635 (6) | 0.3997 (4) | 0.0450 (19) | |
C1 | −0.1589 (10) | 0.7694 (9) | −0.0269 (6) | 0.025 (3) | |
H1A | −0.0872 | 0.7799 | −0.0551 | 0.030* | |
H1B | −0.2174 | 0.8408 | −0.0417 | 0.030* | |
C2 | −0.1677 (9) | 0.7309 (9) | −0.1835 (6) | 0.022 (2) | |
H2A | −0.2258 | 0.7981 | −0.2234 | 0.026* | |
H2B | −0.0929 | 0.7446 | −0.1847 | 0.026* | |
C11 | −0.2638 (9) | 0.6876 (8) | 0.1409 (6) | 0.021 (2) | |
C12 | −0.3612 (9) | 0.7786 (10) | 0.1180 (7) | 0.034 (3) | |
H12 | −0.3580 | 0.8456 | 0.0750 | 0.041* | |
C13 | −0.4637 (10) | 0.7705 (13) | 0.1588 (8) | 0.050 (4) | |
H13 | −0.5306 | 0.8322 | 0.1431 | 0.060* | |
C14 | −0.4682 (11) | 0.6735 (10) | 0.2216 (7) | 0.046 (4) | |
H14 | −0.5380 | 0.6689 | 0.2496 | 0.055* | |
C15 | −0.3719 (11) | 0.5829 (11) | 0.2441 (7) | 0.041 (3) | |
H15 | −0.3757 | 0.5162 | 0.2875 | 0.049* | |
C16 | −0.2689 (10) | 0.5891 (11) | 0.2032 (7) | 0.040 (3) | |
H16 | −0.2031 | 0.5266 | 0.2176 | 0.048* | |
C21 | −0.1004 (8) | 0.7912 (9) | 0.1302 (6) | 0.027 (3) | |
C22 | −0.0871 (9) | 0.8858 (10) | 0.0724 (7) | 0.036 (3) | |
H22 | −0.0880 | 0.9033 | 0.0104 | 0.043* | |
C23 | −0.0721 (10) | 0.9573 (11) | 0.1053 (9) | 0.047 (4) | |
H23 | −0.0636 | 1.0236 | 0.0653 | 0.056* | |
C24 | −0.0696 (10) | 0.9314 (12) | 0.1948 (8) | 0.052 (4) | |
H24 | −0.0578 | 0.9791 | 0.2169 | 0.063* | |
C25 | −0.0840 (13) | 0.8377 (14) | 0.2518 (9) | 0.066 (5) | |
H25 | −0.0845 | 0.8211 | 0.3137 | 0.080* | |
C26 | −0.0979 (10) | 0.7655 (12) | 0.2204 (7) | 0.043 (4) | |
H26 | −0.1057 | 0.6991 | 0.2609 | 0.052* | |
C31 | −0.3705 (10) | 0.7486 (8) | −0.0815 (6) | 0.026 (3) | |
C32 | −0.4241 (10) | 0.8563 (10) | −0.1314 (6) | 0.036 (3) | |
H32 | −0.3785 | 0.9015 | −0.1600 | 0.043* | |
C33 | −0.5441 (10) | 0.8991 (11) | −0.1400 (7) | 0.046 (4) | |
H33 | −0.5809 | 0.9735 | −0.1739 | 0.055* | |
C34 | −0.6087 (11) | 0.8336 (10) | −0.0995 (8) | 0.051 (4) | |
H34 | −0.6909 | 0.8629 | −0.1061 | 0.061* | |
C35 | −0.5575 (11) | 0.7257 (12) | −0.0492 (8) | 0.048 (4) | |
H35 | −0.6040 | 0.6812 | −0.0217 | 0.057* | |
C36 | −0.4365 (10) | 0.6823 (11) | −0.0390 (8) | 0.041 (3) | |
H36 | −0.4000 | 0.6084 | −0.0034 | 0.049* | |
C51 | 0.1060 (10) | 0.3188 (8) | 0.3349 (6) | 0.029 (3) | |
C52 | 0.0826 (14) | 0.3824 (12) | 0.3817 (8) | 0.091 (7) | |
H52 | 0.0949 | 0.4500 | 0.3576 | 0.110* | |
C53 | 0.0407 (17) | 0.3451 (15) | 0.4650 (9) | 0.113 (9) | |
H53 | 0.0256 | 0.3875 | 0.4984 | 0.136* | |
C54 | 0.0209 (15) | 0.2505 (11) | 0.4994 (8) | 0.066 (5) | |
H54 | −0.0105 | 0.2283 | 0.5556 | 0.079* | |
C55 | 0.0451 (10) | 0.1859 (11) | 0.4549 (7) | 0.040 (3) | |
H55 | 0.0345 | 0.1176 | 0.4806 | 0.048* | |
C56 | 0.0853 (9) | 0.2218 (9) | 0.3720 (6) | 0.027 (3) | |
H56 | 0.0993 | 0.1787 | 0.3393 | 0.032* | |
C61 | 0.2948 (9) | 0.3764 (8) | 0.2336 (7) | 0.030 (3) | |
C62 | 0.3756 (10) | 0.2916 (10) | 0.2976 (9) | 0.057 (4) | |
H62 | 0.3540 | 0.2332 | 0.3395 | 0.068* | |
C63 | 0.4873 (13) | 0.2922 (14) | 0.3004 (12) | 0.089 (7) | |
H63 | 0.5421 | 0.2337 | 0.3451 | 0.107* | |
C64 | 0.5225 (14) | 0.3734 (13) | 0.2416 (11) | 0.085 (7) | |
H64 | 0.6010 | 0.3712 | 0.2435 | 0.102* | |
C65 | 0.4420 (12) | 0.4579 (13) | 0.1797 (10) | 0.057 (4) | |
H65 | 0.4643 | 0.5167 | 0.1392 | 0.069* | |
C66 | 0.3286 (10) | 0.4605 (11) | 0.1745 (7) | 0.042 (4) | |
H66 | 0.2739 | 0.5200 | 0.1302 | 0.050* | |
C71 | 0.2737 (9) | 0.9219 (11) | 0.4894 (7) | 0.032 (3) | |
C72 | 0.2375 (11) | 0.8837 (11) | 0.5743 (7) | 0.038 (3) | |
C73 | 0.2475 (10) | 0.9231 (12) | 0.6356 (7) | 0.044 (4) | |
C74 | 0.3006 (11) | 0.9998 (13) | 0.6116 (9) | 0.049 (4) | |
C75 | 0.3394 (11) | 1.0391 (13) | 0.5306 (9) | 0.050 (4) | |
C76 | 0.3276 (11) | 0.9982 (10) | 0.4704 (7) | 0.033 (3) | |
C81 | 0.4158 (9) | 0.7653 (9) | 0.4284 (7) | 0.024 (3) | |
C82 | 0.4456 (10) | 0.6677 (11) | 0.5010 (7) | 0.035 (3) | |
C83 | 0.5545 (11) | 0.5988 (11) | 0.5267 (8) | 0.042 (3) | |
C84 | 0.6413 (11) | 0.6226 (12) | 0.4737 (9) | 0.045 (4) | |
C85 | 0.6165 (11) | 0.7156 (12) | 0.4003 (8) | 0.042 (3) | |
C86 | 0.5059 (11) | 0.7872 (10) | 0.3789 (7) | 0.030 (3) | |
C91 | 0.2382 (9) | 0.8167 (10) | 0.2974 (7) | 0.028 (3) | |
C92 | 0.2448 (9) | 0.8774 (10) | 0.2082 (7) | 0.027 (3) | |
C93 | 0.2347 (10) | 0.8433 (11) | 0.1422 (7) | 0.034 (3) | |
C94 | 0.2117 (10) | 0.7511 (11) | 0.1650 (8) | 0.036 (3) | |
C95 | 0.1985 (10) | 0.6904 (11) | 0.2509 (9) | 0.038 (3) | |
C96 | 0.2139 (10) | 0.7255 (10) | 0.3149 (8) | 0.030 (3) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Au1 | 0.0228 (2) | 0.0221 (3) | 0.0202 (2) | −0.0030 (2) | −0.00062 (17) | −0.00736 (19) |
Au2 | 0.0297 (3) | 0.0230 (3) | 0.0211 (2) | −0.0098 (2) | 0.00228 (18) | −0.00672 (19) |
Au3 | 0.0255 (2) | 0.0218 (3) | 0.0251 (2) | −0.0055 (2) | −0.00009 (18) | −0.0109 (2) |
P1 | 0.0208 (15) | 0.0228 (18) | 0.0178 (12) | −0.0065 (13) | 0.0032 (11) | −0.0085 (12) |
P2 | 0.0246 (15) | 0.0256 (19) | 0.0205 (13) | −0.0084 (14) | 0.0023 (12) | −0.0097 (13) |
P3 | 0.0303 (17) | 0.0194 (18) | 0.0212 (13) | −0.0035 (14) | −0.0044 (12) | −0.0080 (13) |
Cl1 | 0.0286 (16) | 0.035 (2) | 0.0449 (16) | 0.0017 (14) | −0.0045 (13) | −0.0255 (15) |
Cl2 | 0.0371 (17) | 0.0253 (19) | 0.0451 (16) | −0.0115 (15) | 0.0031 (14) | −0.0028 (14) |
F1 | 0.054 (5) | 0.071 (7) | 0.041 (4) | −0.028 (5) | 0.007 (4) | −0.019 (4) |
F2 | 0.059 (5) | 0.110 (9) | 0.034 (4) | −0.012 (5) | 0.007 (4) | −0.037 (5) |
F3 | 0.076 (6) | 0.085 (7) | 0.068 (5) | 0.010 (5) | −0.022 (5) | −0.065 (5) |
F4 | 0.079 (6) | 0.060 (7) | 0.077 (5) | −0.026 (5) | −0.013 (5) | −0.042 (5) |
F5 | 0.066 (5) | 0.041 (5) | 0.042 (4) | −0.023 (4) | 0.007 (4) | −0.021 (4) |
F6 | 0.041 (5) | 0.059 (6) | 0.043 (4) | −0.012 (4) | 0.012 (4) | 0.009 (4) |
F7 | 0.049 (5) | 0.041 (6) | 0.052 (4) | 0.000 (4) | −0.001 (4) | 0.010 (4) |
F8 | 0.026 (4) | 0.051 (6) | 0.090 (6) | 0.013 (4) | −0.002 (4) | −0.014 (5) |
F9 | 0.034 (4) | 0.072 (7) | 0.075 (5) | −0.016 (5) | 0.017 (4) | −0.023 (5) |
F10 | 0.043 (4) | 0.041 (5) | 0.045 (4) | −0.014 (4) | 0.012 (3) | −0.013 (4) |
F11 | 0.064 (5) | 0.030 (5) | 0.035 (4) | −0.023 (4) | −0.005 (3) | 0.001 (3) |
F12 | 0.066 (5) | 0.055 (6) | 0.028 (3) | −0.001 (5) | −0.004 (4) | −0.013 (4) |
F13 | 0.051 (5) | 0.079 (7) | 0.068 (5) | −0.003 (5) | −0.009 (4) | −0.061 (5) |
F14 | 0.069 (6) | 0.034 (5) | 0.103 (6) | −0.026 (5) | 0.022 (5) | −0.051 (5) |
F15 | 0.059 (5) | 0.032 (5) | 0.045 (4) | −0.021 (4) | 0.029 (4) | −0.016 (4) |
C1 | 0.033 (6) | 0.027 (7) | 0.012 (5) | −0.009 (6) | 0.002 (4) | −0.006 (5) |
C2 | 0.028 (6) | 0.025 (7) | 0.015 (5) | −0.012 (5) | 0.006 (4) | −0.009 (5) |
C11 | 0.024 (6) | 0.021 (7) | 0.020 (5) | −0.010 (5) | 0.006 (4) | −0.009 (5) |
C12 | 0.025 (6) | 0.038 (9) | 0.032 (6) | −0.005 (6) | 0.000 (5) | −0.011 (6) |
C13 | 0.031 (8) | 0.075 (13) | 0.055 (8) | −0.011 (8) | 0.011 (6) | −0.043 (9) |
C14 | 0.034 (8) | 0.072 (12) | 0.046 (7) | −0.024 (8) | 0.023 (6) | −0.036 (8) |
C15 | 0.048 (8) | 0.041 (9) | 0.040 (7) | −0.028 (8) | 0.017 (6) | −0.014 (7) |
C16 | 0.045 (8) | 0.038 (9) | 0.039 (7) | −0.019 (7) | 0.014 (6) | −0.014 (6) |
C21 | 0.016 (6) | 0.037 (8) | 0.034 (6) | −0.013 (6) | 0.002 (5) | −0.019 (6) |
C22 | 0.047 (8) | 0.036 (9) | 0.037 (6) | −0.017 (7) | −0.002 (6) | −0.022 (6) |
C23 | 0.039 (8) | 0.033 (9) | 0.070 (9) | −0.006 (7) | −0.012 (7) | −0.025 (8) |
C24 | 0.026 (7) | 0.077 (13) | 0.077 (10) | −0.003 (8) | 0.005 (7) | −0.064 (10) |
C25 | 0.065 (11) | 0.109 (17) | 0.049 (8) | −0.026 (11) | −0.001 (8) | −0.055 (11) |
C26 | 0.034 (7) | 0.075 (12) | 0.030 (6) | −0.025 (8) | 0.012 (5) | −0.025 (7) |
C31 | 0.028 (6) | 0.024 (7) | 0.028 (5) | −0.009 (6) | 0.006 (5) | −0.013 (5) |
C32 | 0.038 (7) | 0.031 (8) | 0.029 (6) | −0.009 (6) | 0.009 (5) | −0.004 (6) |
C33 | 0.029 (7) | 0.039 (10) | 0.044 (7) | 0.012 (7) | −0.011 (6) | −0.008 (7) |
C34 | 0.024 (7) | 0.071 (13) | 0.049 (8) | 0.006 (8) | −0.005 (6) | −0.031 (8) |
C35 | 0.043 (8) | 0.053 (11) | 0.047 (7) | −0.021 (8) | 0.008 (7) | −0.017 (8) |
C36 | 0.037 (8) | 0.038 (9) | 0.043 (7) | −0.013 (7) | 0.008 (6) | −0.013 (6) |
C51 | 0.039 (7) | 0.029 (8) | 0.017 (5) | −0.010 (6) | −0.004 (5) | −0.009 (5) |
C52 | 0.21 (2) | 0.055 (12) | 0.033 (7) | −0.066 (14) | 0.046 (10) | −0.029 (8) |
C53 | 0.23 (3) | 0.088 (18) | 0.054 (10) | −0.069 (18) | 0.050 (13) | −0.054 (11) |
C54 | 0.110 (14) | 0.041 (11) | 0.030 (7) | −0.019 (10) | 0.024 (8) | −0.007 (7) |
C55 | 0.035 (7) | 0.034 (9) | 0.035 (6) | −0.004 (7) | 0.004 (6) | −0.006 (6) |
C56 | 0.031 (6) | 0.016 (7) | 0.032 (6) | −0.009 (6) | 0.008 (5) | −0.008 (5) |
C61 | 0.025 (6) | 0.030 (8) | 0.045 (7) | −0.016 (6) | 0.001 (5) | −0.021 (6) |
C62 | 0.045 (9) | 0.020 (8) | 0.091 (10) | −0.002 (7) | −0.044 (8) | −0.008 (8) |
C63 | 0.063 (12) | 0.041 (12) | 0.147 (18) | 0.020 (10) | −0.068 (12) | −0.040 (13) |
C64 | 0.030 (9) | 0.086 (17) | 0.159 (19) | 0.008 (10) | −0.019 (11) | −0.084 (16) |
C65 | 0.055 (10) | 0.067 (13) | 0.088 (11) | −0.043 (10) | 0.025 (9) | −0.053 (10) |
C66 | 0.043 (8) | 0.052 (10) | 0.037 (7) | −0.016 (7) | −0.008 (6) | −0.023 (7) |
C71 | 0.020 (6) | 0.042 (9) | 0.032 (6) | 0.004 (6) | −0.010 (5) | −0.022 (6) |
C72 | 0.037 (8) | 0.035 (9) | 0.031 (6) | 0.003 (7) | −0.007 (6) | −0.014 (6) |
C73 | 0.022 (7) | 0.062 (11) | 0.030 (6) | 0.009 (7) | −0.008 (5) | −0.018 (7) |
C74 | 0.036 (8) | 0.078 (12) | 0.048 (8) | −0.006 (8) | −0.008 (6) | −0.049 (9) |
C75 | 0.036 (8) | 0.057 (11) | 0.058 (9) | −0.004 (8) | −0.010 (7) | −0.032 (8) |
C76 | 0.041 (7) | 0.021 (7) | 0.037 (6) | −0.003 (6) | −0.005 (6) | −0.016 (6) |
C81 | 0.025 (6) | 0.014 (7) | 0.034 (6) | −0.006 (5) | 0.003 (5) | −0.011 (5) |
C82 | 0.033 (7) | 0.038 (9) | 0.034 (6) | −0.022 (7) | 0.002 (6) | −0.008 (6) |
C83 | 0.043 (8) | 0.023 (8) | 0.039 (7) | −0.004 (7) | −0.007 (6) | 0.003 (6) |
C84 | 0.031 (8) | 0.050 (10) | 0.051 (8) | −0.006 (7) | −0.004 (6) | −0.022 (8) |
C85 | 0.035 (8) | 0.051 (10) | 0.047 (7) | −0.017 (7) | 0.017 (6) | −0.024 (7) |
C86 | 0.042 (8) | 0.019 (7) | 0.029 (6) | −0.011 (6) | −0.002 (5) | −0.008 (5) |
C91 | 0.023 (6) | 0.028 (8) | 0.028 (6) | −0.007 (6) | 0.000 (5) | −0.009 (5) |
C92 | 0.018 (6) | 0.022 (7) | 0.037 (6) | −0.004 (5) | 0.005 (5) | −0.010 (6) |
C93 | 0.034 (7) | 0.033 (8) | 0.034 (6) | 0.000 (6) | −0.002 (5) | −0.020 (6) |
C94 | 0.033 (7) | 0.042 (9) | 0.046 (7) | −0.007 (7) | 0.003 (6) | −0.035 (7) |
C95 | 0.019 (6) | 0.040 (9) | 0.067 (8) | −0.009 (6) | 0.011 (6) | −0.036 (8) |
C96 | 0.026 (7) | 0.018 (7) | 0.048 (7) | −0.009 (6) | 0.012 (5) | −0.018 (6) |
Geometric parameters (Å, º) top
Au1—P3 | 2.307 (3) | C24—C25 | 1.356 (15) |
Au1—P1 | 2.307 (3) | C24—H24 | 0.9500 |
Au1—Au2i | 3.1037 (15) | C25—C26 | 1.397 (15) |
Au1—Au2 | 3.1850 (14) | C25—H25 | 0.9500 |
Au2—P2 | 2.237 (3) | C26—H26 | 0.9500 |
Au2—Cl2 | 2.285 (3) | C31—C32 | 1.379 (13) |
Au2—Au1i | 3.1037 (15) | C31—C36 | 1.389 (13) |
Au3—C81 | 2.014 (11) | C32—C33 | 1.387 (14) |
Au3—C91 | 2.065 (10) | C32—H32 | 0.9500 |
Au3—C71 | 2.071 (10) | C33—C34 | 1.362 (14) |
Au3—Cl1 | 2.330 (3) | C33—H33 | 0.9500 |
P1—C11 | 1.805 (10) | C34—C35 | 1.378 (14) |
P1—C21 | 1.806 (11) | C34—H34 | 0.9500 |
P1—C1 | 1.825 (9) | C35—C36 | 1.398 (14) |
P2—C31 | 1.812 (11) | C35—H35 | 0.9500 |
P2—C2 | 1.828 (9) | C36—H36 | 0.9500 |
P2—C1 | 1.845 (10) | C51—C52 | 1.381 (13) |
P3—C61 | 1.795 (11) | C51—C56 | 1.381 (12) |
P3—C51 | 1.803 (10) | C52—C53 | 1.387 (15) |
P3—C2i | 1.818 (10) | C52—H52 | 0.9500 |
F1—C72 | 1.334 (15) | C53—C54 | 1.345 (16) |
F2—C73 | 1.321 (14) | C53—H53 | 0.9500 |
F3—C74 | 1.365 (13) | C54—C55 | 1.362 (14) |
F4—C75 | 1.349 (16) | C54—H54 | 0.9500 |
F5—C76 | 1.356 (13) | C55—C56 | 1.372 (13) |
F6—C82 | 1.369 (13) | C55—H55 | 0.9500 |
F7—C83 | 1.337 (14) | C56—H56 | 0.9500 |
F8—C84 | 1.336 (15) | C61—C66 | 1.378 (13) |
F9—C85 | 1.360 (14) | C61—C62 | 1.378 (13) |
F10—C86 | 1.350 (13) | C62—C63 | 1.368 (16) |
F11—C92 | 1.360 (13) | C62—H62 | 0.9500 |
F12—C93 | 1.346 (13) | C63—C64 | 1.357 (17) |
F13—C94 | 1.355 (12) | C63—H63 | 0.9500 |
F14—C95 | 1.336 (14) | C64—C65 | 1.359 (16) |
F15—C96 | 1.355 (13) | C64—H64 | 0.9500 |
C1—H1A | 0.9900 | C65—C66 | 1.379 (15) |
C1—H1B | 0.9900 | C65—H65 | 0.9500 |
C2—P3i | 1.818 (10) | C66—H66 | 0.9500 |
C2—H2A | 0.9900 | C71—C76 | 1.376 (17) |
C2—H2B | 0.9900 | C71—C72 | 1.382 (16) |
C11—C16 | 1.393 (13) | C72—C73 | 1.376 (17) |
C11—C12 | 1.393 (12) | C73—C74 | 1.37 (2) |
C12—C13 | 1.397 (13) | C74—C75 | 1.345 (19) |
C12—H12 | 0.9500 | C75—C76 | 1.382 (16) |
C13—C14 | 1.378 (14) | C81—C86 | 1.368 (15) |
C13—H13 | 0.9500 | C81—C82 | 1.382 (16) |
C14—C15 | 1.383 (14) | C82—C83 | 1.349 (17) |
C14—H14 | 0.9500 | C83—C84 | 1.369 (18) |
C15—C16 | 1.400 (13) | C84—C85 | 1.351 (19) |
C15—H15 | 0.9500 | C85—C86 | 1.374 (17) |
C16—H16 | 0.9500 | C91—C96 | 1.354 (16) |
C21—C22 | 1.364 (13) | C91—C92 | 1.388 (14) |
C21—C26 | 1.382 (11) | C92—C93 | 1.393 (15) |
C22—C23 | 1.409 (14) | C93—C94 | 1.345 (17) |
C22—H22 | 0.9500 | C94—C95 | 1.362 (17) |
C23—C24 | 1.370 (14) | C95—F14 | 1.336 (14) |
C23—H23 | 0.9500 | C95—C96 | 1.392 (15) |
| | | |
P3—Au1—P1 | 164.40 (9) | C34—C35—H35 | 120.3 |
P3—Au1—Au2i | 80.43 (8) | C36—C35—H35 | 120.3 |
P1—Au1—Au2i | 114.89 (7) | C31—C36—C35 | 119.1 (12) |
P3—Au1—Au2 | 112.15 (8) | C31—C36—H36 | 120.4 |
P1—Au1—Au2 | 77.84 (8) | C35—C36—H36 | 120.4 |
Au2i—Au1—Au2 | 68.96 (4) | C52—C51—C56 | 118.9 (11) |
P2—Au2—Cl2 | 170.67 (11) | C52—C51—P3 | 117.8 (8) |
P2—Au2—Au1i | 93.89 (8) | C56—C51—P3 | 123.0 (7) |
Cl2—Au2—Au1i | 89.63 (9) | C51—C52—C53 | 118.4 (13) |
P2—Au2—Au1 | 92.77 (8) | C51—C52—H52 | 120.8 |
Cl2—Au2—Au1 | 94.03 (9) | C53—C52—H52 | 120.8 |
Au1i—Au2—Au1 | 111.04 (4) | C54—C53—C52 | 121.4 (13) |
C81—Au3—C91 | 89.1 (4) | C54—C53—H53 | 119.3 |
C81—Au3—C71 | 89.6 (4) | C52—C53—H53 | 119.3 |
C91—Au3—C71 | 178.3 (4) | C53—C54—C55 | 121.0 (13) |
C81—Au3—Cl1 | 178.6 (3) | C53—C54—H54 | 119.5 |
C91—Au3—Cl1 | 90.6 (3) | C55—C54—H54 | 119.5 |
C71—Au3—Cl1 | 90.8 (3) | C54—C55—C56 | 118.4 (12) |
C11—P1—C21 | 102.0 (4) | C54—C55—H55 | 120.8 |
C11—P1—C1 | 107.5 (5) | C56—C55—H55 | 120.8 |
C21—P1—C1 | 105.9 (5) | C55—C56—C51 | 121.7 (10) |
C11—P1—Au1 | 112.2 (3) | C55—C56—H56 | 119.1 |
C21—P1—Au1 | 113.7 (3) | C51—C56—H56 | 119.1 |
C1—P1—Au1 | 114.6 (4) | C66—C61—C62 | 118.8 (11) |
C31—P2—C2 | 106.0 (5) | C66—C61—P3 | 121.0 (8) |
C31—P2—C1 | 106.3 (5) | C62—C61—P3 | 120.0 (9) |
C2—P2—C1 | 103.0 (5) | C63—C62—C61 | 119.5 (13) |
C31—P2—Au2 | 113.2 (3) | C63—C62—H62 | 120.3 |
C2—P2—Au2 | 113.3 (4) | C61—C62—H62 | 120.3 |
C1—P2—Au2 | 114.1 (3) | C64—C63—C62 | 122.4 (14) |
C61—P3—C51 | 107.3 (5) | C64—C63—H63 | 118.8 |
C61—P3—C2i | 105.1 (5) | C62—C63—H63 | 118.8 |
C51—P3—C2i | 104.8 (5) | C63—C64—C65 | 117.9 (15) |
C61—P3—Au1 | 114.9 (4) | C63—C64—H64 | 121.0 |
C51—P3—Au1 | 109.9 (4) | C65—C64—H64 | 121.0 |
C2i—P3—Au1 | 114.2 (3) | C64—C65—C66 | 121.5 (14) |
F14—F14—C95 | 0 (10) | C64—C65—H65 | 119.2 |
P1—C1—P2 | 110.0 (6) | C66—C65—H65 | 119.2 |
P1—C1—H1A | 109.7 | C65—C66—C61 | 119.8 (12) |
P2—C1—H1A | 109.7 | C65—C66—H66 | 120.1 |
P1—C1—H1B | 109.7 | C61—C66—H66 | 120.1 |
P2—C1—H1B | 109.7 | C76—C71—C72 | 116.2 (10) |
H1A—C1—H1B | 108.2 | C76—C71—Au3 | 119.9 (8) |
P3i—C2—P2 | 111.8 (6) | C72—C71—Au3 | 123.9 (10) |
P3i—C2—H2A | 109.3 | F1—C72—C73 | 117.1 (11) |
P2—C2—H2A | 109.3 | F1—C72—C71 | 120.0 (11) |
P3i—C2—H2B | 109.3 | C73—C72—C71 | 122.9 (13) |
P2—C2—H2B | 109.3 | F2—C73—C74 | 121.5 (12) |
H2A—C2—H2B | 107.9 | F2—C73—C72 | 120.8 (14) |
C16—C11—C12 | 120.3 (11) | C74—C73—C72 | 117.5 (12) |
C16—C11—P1 | 119.9 (8) | C75—C74—F3 | 118.7 (14) |
C12—C11—P1 | 119.8 (8) | C75—C74—C73 | 122.5 (12) |
C11—C12—C13 | 119.4 (11) | F3—C74—C73 | 118.8 (12) |
C11—C12—H12 | 120.3 | C74—C75—F4 | 121.8 (12) |
C13—C12—H12 | 120.3 | C74—C75—C76 | 118.5 (14) |
C14—C13—C12 | 120.4 (12) | F4—C75—C76 | 119.7 (13) |
C14—C13—H13 | 119.8 | F5—C76—C71 | 119.6 (9) |
C12—C13—H13 | 119.8 | F5—C76—C75 | 118.0 (12) |
C13—C14—C15 | 120.4 (12) | C71—C76—C75 | 122.3 (12) |
C13—C14—H14 | 119.8 | C86—C81—C82 | 114.8 (11) |
C15—C14—H14 | 119.8 | C86—C81—Au3 | 121.0 (9) |
C14—C15—C16 | 120.1 (12) | C82—C81—Au3 | 124.2 (8) |
C14—C15—H15 | 120.0 | C83—C82—F6 | 117.2 (11) |
C16—C15—H15 | 120.0 | C83—C82—C81 | 124.8 (11) |
C11—C16—C15 | 119.4 (12) | F6—C82—C81 | 117.8 (11) |
C11—C16—H16 | 120.3 | F7—C83—C82 | 120.9 (12) |
C15—C16—H16 | 120.3 | F7—C83—C84 | 120.7 (12) |
C22—C21—C26 | 120.0 (11) | C82—C83—C84 | 118.2 (12) |
C22—C21—P1 | 122.4 (7) | F8—C84—C85 | 120.6 (12) |
C26—C21—P1 | 117.4 (9) | F8—C84—C83 | 120.0 (13) |
C21—C22—C23 | 119.5 (10) | C85—C84—C83 | 119.4 (13) |
C21—C22—H22 | 120.2 | C84—C85—F9 | 118.8 (12) |
C23—C22—H22 | 120.2 | C84—C85—C86 | 121.0 (12) |
C24—C23—C22 | 120.2 (12) | F9—C85—C86 | 120.2 (12) |
C24—C23—H23 | 119.9 | F10—C86—C81 | 120.2 (11) |
C22—C23—H23 | 119.9 | F10—C86—C85 | 118.1 (11) |
C25—C24—C23 | 120.0 (13) | C81—C86—C85 | 121.6 (11) |
C25—C24—H24 | 120.0 | C96—C91—C92 | 115.1 (10) |
C23—C24—H24 | 120.0 | C96—C91—Au3 | 123.4 (8) |
C24—C25—C26 | 120.5 (12) | C92—C91—Au3 | 121.4 (9) |
C24—C25—H25 | 119.7 | F11—C92—C91 | 120.6 (10) |
C26—C25—H25 | 119.7 | F11—C92—C93 | 117.0 (10) |
C21—C26—C25 | 119.7 (12) | C91—C92—C93 | 122.3 (12) |
C21—C26—H26 | 120.2 | C94—C93—F12 | 122.0 (10) |
C25—C26—H26 | 120.2 | C94—C93—C92 | 119.0 (11) |
C32—C31—C36 | 120.2 (12) | F12—C93—C92 | 119.0 (12) |
C32—C31—P2 | 120.6 (8) | C93—C94—F13 | 118.5 (11) |
C36—C31—P2 | 119.2 (8) | C93—C94—C95 | 121.5 (11) |
C31—C32—C33 | 120.4 (11) | F13—C94—C95 | 119.9 (12) |
C31—C32—H32 | 119.8 | F14—C95—F14 | 0.0 (11) |
C33—C32—H32 | 119.8 | F14—C95—C94 | 121.1 (11) |
C34—C33—C32 | 119.4 (12) | F14—C95—C94 | 121.1 (11) |
C34—C33—H33 | 120.3 | F14—C95—C96 | 121.5 (12) |
C32—C33—H33 | 120.3 | F14—C95—C96 | 121.5 (12) |
C33—C34—C35 | 121.5 (13) | C94—C95—C96 | 117.4 (12) |
C33—C34—H34 | 119.2 | C91—C96—F15 | 119.5 (10) |
C35—C34—H34 | 119.2 | C91—C96—C95 | 124.5 (11) |
C34—C35—C36 | 119.5 (12) | F15—C96—C95 | 116.0 (11) |
Symmetry code: (i) −x, −y+1, −z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C32—H32···F11ii | 0.95 | 2.51 | 3.412 (14) | 159 |
C52—H52···F14 | 0.95 | 2.50 | 3.417 (17) | 163 |
Symmetry code: (ii) −x, −y+2, −z. |
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