Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806028856/ng2055sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806028856/ng2055Isup2.hkl |
CCDC reference: 618294
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (C-C) = 0.009 Å
- R factor = 0.037
- wR factor = 0.069
- Data-to-parameter ratio = 18.0
checkCIF/PLATON results
No syntax errors found
Alert level B ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR) is > 1.50 Tmin and Tmax reported: 0.739 0.834 Tmin and Tmax expected: 0.278 0.532 RR = 1.696 Please check that your absorption correction is appropriate. PLAT060_ALERT_3_B Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.71
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.64 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 1 PLAT213_ALERT_2_C Atom F8 has ADP max/min Ratio ............. 3.30 oblat PLAT213_ALERT_2_C Atom C84 has ADP max/min Ratio ............. 3.70 prola PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.18 Ratio PLAT220_ALERT_2_C Large Non-Solvent F Ueq(max)/Ueq(min) ... 3.29 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C99 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT480_ALERT_4_C Long H...A H-Bond Reported H66 .. O3 .. 2.61 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H26 .. O2 .. 2.67 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H14 .. O2 .. 2.61 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 36.00 A 3
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.637 Tmax scaled 0.532 Tmin scaled 0.471 REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.50 From the CIF: _reflns_number_total 11909 Count of symmetry unique reflns 6818 Completeness (_total/calc) 174.67% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 5091 Fraction of Friedel pairs measured 0.747 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: XSCANS (Fait, 1991); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1994); software used to prepare material for publication: SHELXL97.
[Au(C6F5)2(C19H17PS)2]ClO4·CHCl3 | Dx = 1.693 Mg m−3 |
Mr = 1366.62 | Mo Kα radiation, λ = 0.71073 Å |
Orthorhombic, P212121 | Cell parameters from 75 reflections |
a = 11.290 (2) Å | θ = 4.5–12.5° |
b = 13.795 (2) Å | µ = 3.16 mm−1 |
c = 34.421 (4) Å | T = 173 K |
V = 5361.1 (14) Å3 | Prism, colourless |
Z = 4 | 0.50 × 0.35 × 0.20 mm |
F(000) = 2688 |
Siemens P4 diffractometer | 9376 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.030 |
Graphite monochromator | θmax = 27.5°, θmin = 3.2° |
ω scans | h = 0→14 |
Absorption correction: ψ scan (XEMP; Siemens, 1994) | k = −17→17 |
Tmin = 0.739, Tmax = 0.834 | l = −44→40 |
17522 measured reflections | 3 standard reflections every 297 reflections |
11909 independent reflections | intensity decay: none |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.037 | H-atom parameters constrained |
wR(F2) = 0.069 | w = 1/[σ2(Fo2) + (0.0289P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.92 | (Δ/σ)max = 0.003 |
11909 reflections | Δρmax = 1.10 e Å−3 |
662 parameters | Δρmin = −0.77 e Å−3 |
562 restraints | Absolute structure: Flack (1983), 5100 Friedel pairs |
Primary atom site location: Patterson | Absolute structure parameter: −0.019 (4) |
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. Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane) 10.3627 (0.0058) x - 0.5752 (0.0158) y + 13.5850 (0.0387) z = 11.6045 (0.0238) * -0.0039 (0.0015) Au * -0.1337 (0.0020) P1 * 0.1383 (0.0020) P2 * 0.1768 (0.0024) C71 * -0.1776 (0.0026) C81 Rms deviation of fitted atoms = 0.1413 |
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 | ||
Au | 0.355390 (18) | 0.592752 (14) | 0.607929 (6) | 0.02185 (5) | |
P1 | 0.29004 (13) | 0.45276 (10) | 0.64230 (4) | 0.0226 (3) | |
P2 | 0.31007 (13) | 0.70826 (11) | 0.65786 (4) | 0.0250 (3) | |
S1 | 0.29066 (13) | 0.29124 (11) | 0.58488 (4) | 0.0305 (3) | |
S2 | 0.55969 (14) | 0.65283 (13) | 0.67298 (4) | 0.0369 (4) | |
C1 | 0.3655 (6) | 0.3408 (4) | 0.62740 (15) | 0.0294 (13) | |
H1A | 0.4493 | 0.3548 | 0.6211 | 0.035* | |
H1B | 0.3636 | 0.2931 | 0.6489 | 0.035* | |
C2 | 0.4229 (5) | 0.6897 (4) | 0.69607 (15) | 0.0270 (13) | |
H2A | 0.4352 | 0.7506 | 0.7107 | 0.032* | |
H2B | 0.3961 | 0.6391 | 0.7145 | 0.032* | |
C11 | 0.1337 (5) | 0.4322 (3) | 0.63247 (13) | 0.0264 (12) | |
C12 | 0.0761 (5) | 0.4815 (4) | 0.60321 (16) | 0.0266 (12) | |
H12 | 0.1180 | 0.5277 | 0.5881 | 0.032* | |
C13 | −0.0431 (5) | 0.4640 (4) | 0.59573 (16) | 0.0358 (14) | |
H13 | −0.0837 | 0.4990 | 0.5761 | 0.043* | |
C14 | −0.1006 (5) | 0.3953 (5) | 0.61733 (15) | 0.0411 (15) | |
H14 | −0.1820 | 0.3831 | 0.6124 | 0.049* | |
C15 | −0.0453 (5) | 0.3441 (5) | 0.64550 (19) | 0.0464 (17) | |
H15 | −0.0872 | 0.2955 | 0.6594 | 0.056* | |
C16 | 0.0720 (5) | 0.3623 (4) | 0.65419 (16) | 0.0359 (14) | |
H16 | 0.1104 | 0.3281 | 0.6746 | 0.043* | |
C21 | 0.3081 (5) | 0.4553 (4) | 0.69435 (15) | 0.0290 (13) | |
C22 | 0.2163 (6) | 0.4857 (4) | 0.71884 (16) | 0.0341 (14) | |
H22 | 0.1406 | 0.5017 | 0.7086 | 0.041* | |
C23 | 0.2388 (6) | 0.4920 (5) | 0.75882 (18) | 0.0438 (17) | |
H23 | 0.1776 | 0.5128 | 0.7758 | 0.053* | |
C24 | 0.3477 (7) | 0.4684 (4) | 0.77369 (17) | 0.0475 (16) | |
H24 | 0.3614 | 0.4739 | 0.8008 | 0.057* | |
C25 | 0.4377 (6) | 0.4370 (4) | 0.74970 (17) | 0.0424 (16) | |
H25 | 0.5125 | 0.4197 | 0.7603 | 0.051* | |
C26 | 0.4181 (5) | 0.4307 (4) | 0.70966 (16) | 0.0330 (14) | |
H26 | 0.4799 | 0.4097 | 0.6929 | 0.040* | |
C31 | 0.4074 (5) | 0.2416 (4) | 0.55693 (15) | 0.0272 (12) | |
C32 | 0.3804 (5) | 0.2232 (4) | 0.51829 (16) | 0.0402 (15) | |
H32 | 0.3046 | 0.2393 | 0.5082 | 0.048* | |
C33 | 0.4653 (6) | 0.1809 (5) | 0.49467 (18) | 0.0493 (18) | |
H33 | 0.4472 | 0.1670 | 0.4683 | 0.059* | |
C34 | 0.5755 (6) | 0.1591 (5) | 0.5091 (2) | 0.0540 (18) | |
H34 | 0.6338 | 0.1319 | 0.4925 | 0.065* | |
C35 | 0.6019 (6) | 0.1761 (5) | 0.5469 (2) | 0.0470 (17) | |
H35 | 0.6778 | 0.1597 | 0.5569 | 0.056* | |
C36 | 0.5185 (5) | 0.2172 (4) | 0.57078 (17) | 0.0381 (14) | |
H36 | 0.5374 | 0.2291 | 0.5973 | 0.046* | |
C41 | 0.3275 (5) | 0.8334 (4) | 0.64230 (15) | 0.0300 (14) | |
C42 | 0.2269 (6) | 0.8828 (4) | 0.62898 (17) | 0.0431 (17) | |
H42 | 0.1507 | 0.8537 | 0.6300 | 0.052* | |
C43 | 0.2420 (7) | 0.9764 (4) | 0.6141 (2) | 0.063 (2) | |
H43 | 0.1756 | 1.0110 | 0.6044 | 0.075* | |
C44 | 0.3533 (7) | 1.0190 (4) | 0.6135 (2) | 0.0633 (19) | |
H44 | 0.3617 | 1.0833 | 0.6040 | 0.076* | |
C45 | 0.4520 (7) | 0.9696 (5) | 0.6264 (2) | 0.0551 (19) | |
H45 | 0.5281 | 0.9987 | 0.6247 | 0.066* | |
C46 | 0.4397 (6) | 0.8774 (4) | 0.64168 (18) | 0.0400 (16) | |
H46 | 0.5067 | 0.8441 | 0.6517 | 0.048* | |
C51 | 0.1662 (5) | 0.7028 (4) | 0.68073 (14) | 0.0272 (13) | |
C52 | 0.1542 (6) | 0.7257 (4) | 0.72017 (15) | 0.0365 (13) | |
H52 | 0.2217 | 0.7418 | 0.7353 | 0.044* | |
C53 | 0.0434 (6) | 0.7248 (5) | 0.73659 (18) | 0.0467 (18) | |
H53 | 0.0339 | 0.7406 | 0.7633 | 0.056* | |
C54 | −0.0539 (6) | 0.7009 (6) | 0.71445 (18) | 0.0548 (19) | |
H54 | −0.1303 | 0.7003 | 0.7260 | 0.066* | |
C55 | −0.0417 (5) | 0.6780 (5) | 0.67581 (18) | 0.0474 (18) | |
H55 | −0.1089 | 0.6601 | 0.6608 | 0.057* | |
C56 | 0.0677 (5) | 0.6811 (4) | 0.65923 (16) | 0.0312 (13) | |
H56 | 0.0758 | 0.6680 | 0.6323 | 0.037* | |
C61 | 0.6386 (5) | 0.6005 (4) | 0.71244 (13) | 0.0331 (11) | |
C62 | 0.7134 (5) | 0.5223 (4) | 0.70322 (19) | 0.0415 (15) | |
H62 | 0.7185 | 0.4988 | 0.6773 | 0.050* | |
C63 | 0.7791 (6) | 0.4805 (5) | 0.7325 (2) | 0.0503 (17) | |
H63 | 0.8316 | 0.4289 | 0.7264 | 0.060* | |
C64 | 0.7706 (6) | 0.5119 (5) | 0.7704 (2) | 0.058 (2) | |
H64 | 0.8154 | 0.4814 | 0.7903 | 0.070* | |
C65 | 0.6956 (5) | 0.5885 (6) | 0.77913 (18) | 0.0533 (17) | |
H65 | 0.6887 | 0.6097 | 0.8053 | 0.064* | |
C66 | 0.6307 (6) | 0.6345 (4) | 0.75051 (15) | 0.0385 (14) | |
H66 | 0.5817 | 0.6883 | 0.7567 | 0.046* | |
C71 | 0.4265 (5) | 0.5091 (4) | 0.56345 (14) | 0.0235 (12) | |
C72 | 0.5429 (5) | 0.4802 (3) | 0.56595 (15) | 0.0291 (13) | |
C73 | 0.6021 (5) | 0.4398 (4) | 0.53477 (16) | 0.0319 (14) | |
C74 | 0.5449 (5) | 0.4276 (4) | 0.49986 (15) | 0.0340 (14) | |
C75 | 0.4266 (5) | 0.4541 (4) | 0.49700 (16) | 0.0324 (13) | |
C76 | 0.3715 (5) | 0.4960 (4) | 0.52829 (15) | 0.0278 (12) | |
F1 | 0.6033 (3) | 0.4903 (2) | 0.59932 (9) | 0.0379 (9) | |
F2 | 0.7162 (3) | 0.4146 (3) | 0.53794 (10) | 0.0484 (9) | |
F3 | 0.6008 (3) | 0.3896 (3) | 0.46927 (9) | 0.0500 (10) | |
F4 | 0.3687 (4) | 0.4387 (2) | 0.46353 (9) | 0.0512 (10) | |
F5 | 0.2582 (3) | 0.5250 (3) | 0.52375 (10) | 0.0395 (9) | |
C81 | 0.3943 (5) | 0.7065 (4) | 0.57024 (15) | 0.0336 (15) | |
C82 | 0.5058 (6) | 0.7344 (4) | 0.56032 (16) | 0.0424 (16) | |
C83 | 0.5260 (7) | 0.8082 (5) | 0.53414 (19) | 0.062 (2) | |
C84 | 0.4322 (7) | 0.8539 (6) | 0.5172 (2) | 0.074 (3) | |
C85 | 0.3187 (7) | 0.8273 (5) | 0.5262 (2) | 0.067 (2) | |
C86 | 0.3015 (6) | 0.7527 (4) | 0.55292 (18) | 0.0449 (17) | |
F6 | 0.6004 (3) | 0.6906 (3) | 0.57596 (11) | 0.0519 (10) | |
F7 | 0.6385 (5) | 0.8364 (3) | 0.52578 (12) | 0.0921 (16) | |
F8 | 0.4511 (6) | 0.9271 (4) | 0.49205 (14) | 0.123 (2) | |
F9 | 0.2251 (5) | 0.8722 (3) | 0.51038 (14) | 0.0998 (19) | |
F10 | 0.1882 (3) | 0.7285 (3) | 0.56119 (11) | 0.0532 (11) | |
Cl1 | 0.35446 (16) | 0.72948 (10) | 0.81964 (4) | 0.0398 (3) | |
O1 | 0.4443 (5) | 0.6648 (4) | 0.83187 (16) | 0.0760 (19) | |
O2 | 0.3525 (4) | 0.8115 (3) | 0.84529 (10) | 0.0402 (10) | |
O3 | 0.3822 (5) | 0.7623 (4) | 0.78082 (12) | 0.0645 (16) | |
O4 | 0.2436 (5) | 0.6849 (4) | 0.81788 (19) | 0.089 (2) | |
C99 | 0.3314 (8) | 0.5847 (7) | 0.3975 (3) | 0.101 (3)* | |
H99 | 0.2767 | 0.5510 | 0.4159 | 0.121* | |
Cl2 | 0.4399 (3) | 0.6445 (2) | 0.42461 (8) | 0.1161 (10) | |
Cl3 | 0.2502 (3) | 0.6623 (2) | 0.36987 (9) | 0.1238 (11) | |
Cl4 | 0.3972 (5) | 0.4983 (3) | 0.36822 (12) | 0.230 (3) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Au | 0.02438 (9) | 0.02016 (8) | 0.02100 (8) | −0.00173 (11) | −0.00004 (11) | 0.00316 (10) |
P1 | 0.0244 (8) | 0.0199 (7) | 0.0235 (7) | −0.0011 (6) | 0.0004 (6) | 0.0025 (6) |
P2 | 0.0287 (9) | 0.0208 (8) | 0.0255 (8) | −0.0031 (6) | −0.0005 (6) | 0.0017 (6) |
S1 | 0.0283 (8) | 0.0291 (8) | 0.0339 (8) | −0.0018 (7) | 0.0006 (7) | −0.0057 (7) |
S2 | 0.0304 (9) | 0.0522 (10) | 0.0281 (8) | 0.0035 (8) | 0.0005 (7) | 0.0017 (8) |
C1 | 0.038 (4) | 0.017 (3) | 0.033 (3) | 0.005 (3) | 0.012 (3) | 0.002 (2) |
C2 | 0.032 (3) | 0.025 (3) | 0.024 (3) | 0.000 (3) | −0.002 (3) | −0.003 (2) |
C11 | 0.028 (3) | 0.025 (3) | 0.026 (2) | −0.004 (3) | 0.005 (3) | −0.0030 (19) |
C12 | 0.027 (3) | 0.027 (3) | 0.026 (3) | −0.006 (2) | 0.002 (3) | 0.002 (2) |
C13 | 0.033 (3) | 0.045 (4) | 0.030 (3) | 0.006 (3) | −0.001 (2) | −0.004 (3) |
C14 | 0.026 (3) | 0.059 (4) | 0.039 (4) | −0.011 (3) | 0.001 (2) | −0.004 (3) |
C15 | 0.030 (4) | 0.059 (4) | 0.051 (4) | −0.016 (3) | −0.002 (3) | 0.012 (3) |
C16 | 0.039 (4) | 0.041 (3) | 0.028 (3) | −0.006 (3) | −0.005 (3) | 0.008 (3) |
C21 | 0.044 (3) | 0.019 (3) | 0.023 (3) | −0.003 (3) | −0.004 (2) | 0.005 (2) |
C22 | 0.044 (4) | 0.028 (3) | 0.031 (3) | −0.001 (3) | 0.002 (3) | 0.001 (3) |
C23 | 0.057 (4) | 0.044 (4) | 0.031 (3) | −0.010 (3) | 0.012 (3) | 0.000 (3) |
C24 | 0.078 (5) | 0.041 (4) | 0.024 (3) | −0.005 (4) | −0.007 (3) | 0.003 (3) |
C25 | 0.051 (4) | 0.040 (4) | 0.036 (3) | −0.004 (3) | −0.013 (3) | 0.009 (3) |
C26 | 0.039 (3) | 0.030 (4) | 0.030 (3) | −0.005 (3) | −0.001 (3) | 0.004 (3) |
C31 | 0.029 (3) | 0.019 (3) | 0.034 (3) | −0.004 (2) | 0.006 (3) | 0.000 (2) |
C32 | 0.043 (4) | 0.035 (3) | 0.042 (3) | −0.003 (3) | −0.003 (3) | −0.016 (3) |
C33 | 0.060 (4) | 0.054 (4) | 0.035 (3) | −0.012 (4) | 0.007 (3) | −0.021 (3) |
C34 | 0.045 (4) | 0.045 (4) | 0.072 (5) | −0.002 (3) | 0.021 (4) | −0.018 (4) |
C35 | 0.033 (4) | 0.050 (4) | 0.059 (4) | 0.010 (3) | 0.012 (3) | −0.004 (4) |
C36 | 0.044 (4) | 0.035 (3) | 0.035 (3) | 0.005 (3) | 0.004 (3) | 0.001 (3) |
C41 | 0.040 (4) | 0.021 (3) | 0.029 (3) | −0.004 (2) | 0.002 (3) | 0.002 (2) |
C42 | 0.053 (4) | 0.029 (4) | 0.047 (4) | −0.002 (3) | −0.013 (3) | 0.009 (3) |
C43 | 0.090 (5) | 0.035 (4) | 0.063 (5) | 0.007 (4) | −0.016 (5) | 0.019 (4) |
C44 | 0.100 (5) | 0.026 (3) | 0.064 (5) | −0.012 (4) | −0.003 (6) | 0.011 (3) |
C45 | 0.074 (5) | 0.036 (4) | 0.056 (5) | −0.017 (4) | 0.009 (4) | 0.001 (3) |
C46 | 0.042 (4) | 0.033 (4) | 0.044 (4) | −0.007 (3) | 0.007 (3) | 0.002 (3) |
C51 | 0.031 (3) | 0.024 (3) | 0.026 (3) | −0.001 (3) | 0.003 (2) | 0.001 (2) |
C52 | 0.038 (3) | 0.037 (3) | 0.034 (3) | −0.003 (3) | 0.005 (3) | −0.009 (3) |
C53 | 0.042 (4) | 0.067 (5) | 0.031 (3) | −0.009 (4) | 0.011 (3) | −0.013 (3) |
C54 | 0.027 (3) | 0.085 (6) | 0.052 (4) | −0.005 (4) | 0.016 (3) | −0.001 (4) |
C55 | 0.032 (3) | 0.069 (5) | 0.041 (4) | −0.009 (4) | −0.007 (3) | −0.009 (4) |
C56 | 0.039 (3) | 0.026 (3) | 0.029 (3) | 0.001 (3) | −0.005 (3) | −0.006 (2) |
C61 | 0.029 (3) | 0.041 (3) | 0.030 (2) | −0.004 (3) | 0.004 (3) | 0.004 (3) |
C62 | 0.034 (4) | 0.045 (4) | 0.045 (4) | −0.003 (3) | 0.000 (3) | −0.002 (3) |
C63 | 0.039 (4) | 0.046 (4) | 0.065 (4) | 0.008 (3) | −0.001 (4) | 0.011 (3) |
C64 | 0.049 (5) | 0.072 (5) | 0.053 (4) | 0.015 (4) | −0.004 (4) | 0.027 (4) |
C65 | 0.043 (4) | 0.080 (5) | 0.036 (3) | 0.003 (4) | −0.004 (3) | 0.007 (4) |
C66 | 0.031 (4) | 0.054 (4) | 0.031 (3) | 0.004 (3) | 0.000 (3) | 0.000 (3) |
C71 | 0.026 (3) | 0.026 (3) | 0.018 (3) | 0.004 (2) | 0.003 (2) | 0.003 (2) |
C72 | 0.030 (3) | 0.026 (3) | 0.031 (3) | −0.006 (3) | −0.006 (3) | 0.005 (2) |
C73 | 0.032 (3) | 0.031 (3) | 0.033 (3) | −0.001 (2) | 0.004 (2) | 0.000 (3) |
C74 | 0.044 (3) | 0.029 (4) | 0.030 (3) | −0.006 (3) | 0.008 (3) | −0.002 (2) |
C75 | 0.041 (3) | 0.029 (3) | 0.028 (3) | −0.009 (3) | 0.001 (3) | 0.005 (2) |
C76 | 0.026 (3) | 0.028 (3) | 0.029 (3) | −0.007 (3) | −0.003 (2) | 0.006 (2) |
F1 | 0.032 (2) | 0.050 (2) | 0.031 (2) | 0.0029 (15) | −0.0055 (14) | −0.0025 (16) |
F2 | 0.031 (2) | 0.056 (2) | 0.058 (2) | 0.005 (2) | 0.0062 (17) | −0.015 (2) |
F3 | 0.059 (2) | 0.055 (3) | 0.0363 (18) | 0.002 (2) | 0.0182 (17) | −0.0157 (18) |
F4 | 0.067 (3) | 0.057 (2) | 0.0295 (17) | −0.004 (2) | −0.015 (2) | −0.0070 (15) |
F5 | 0.036 (2) | 0.043 (2) | 0.040 (2) | 0.0043 (18) | −0.0100 (17) | 0.0013 (17) |
C81 | 0.056 (4) | 0.022 (3) | 0.022 (3) | −0.007 (3) | 0.007 (3) | 0.003 (2) |
C82 | 0.059 (4) | 0.036 (4) | 0.032 (3) | −0.010 (3) | 0.015 (3) | 0.005 (3) |
C83 | 0.101 (6) | 0.044 (4) | 0.042 (4) | −0.024 (4) | 0.025 (4) | 0.005 (3) |
C84 | 0.137 (7) | 0.041 (4) | 0.044 (4) | −0.014 (5) | 0.014 (5) | 0.029 (4) |
C85 | 0.112 (6) | 0.041 (4) | 0.047 (4) | 0.011 (4) | −0.011 (4) | 0.024 (3) |
C86 | 0.071 (5) | 0.027 (3) | 0.036 (4) | 0.008 (3) | 0.001 (3) | 0.008 (3) |
F6 | 0.047 (3) | 0.059 (3) | 0.049 (2) | −0.020 (2) | 0.0121 (19) | 0.004 (2) |
F7 | 0.119 (4) | 0.081 (3) | 0.077 (3) | −0.056 (3) | 0.042 (3) | 0.013 (3) |
F8 | 0.221 (7) | 0.068 (4) | 0.082 (3) | −0.022 (4) | 0.015 (4) | 0.050 (3) |
F9 | 0.144 (5) | 0.072 (4) | 0.084 (4) | 0.026 (3) | −0.026 (3) | 0.043 (3) |
F10 | 0.053 (3) | 0.051 (2) | 0.055 (2) | 0.015 (2) | −0.0105 (19) | 0.010 (2) |
Cl1 | 0.0363 (8) | 0.0387 (8) | 0.0444 (8) | 0.0044 (9) | −0.0022 (9) | −0.0167 (7) |
O1 | 0.098 (5) | 0.065 (4) | 0.065 (4) | 0.050 (3) | −0.030 (3) | −0.023 (3) |
O2 | 0.043 (2) | 0.036 (2) | 0.042 (2) | 0.009 (2) | −0.002 (2) | −0.0162 (18) |
O3 | 0.077 (4) | 0.084 (4) | 0.033 (2) | 0.003 (3) | −0.004 (3) | −0.010 (3) |
O4 | 0.064 (4) | 0.074 (4) | 0.129 (5) | −0.029 (3) | 0.033 (4) | −0.052 (4) |
Cl2 | 0.0904 (19) | 0.146 (3) | 0.112 (2) | −0.0376 (19) | −0.0142 (17) | 0.0093 (19) |
Cl3 | 0.097 (2) | 0.138 (3) | 0.137 (3) | 0.007 (2) | −0.0248 (19) | 0.024 (2) |
Cl4 | 0.324 (6) | 0.173 (4) | 0.191 (4) | 0.113 (4) | −0.157 (4) | −0.086 (3) |
Au—C71 | 2.079 (5) | C44—C45 | 1.379 (8) |
Au—C81 | 2.083 (5) | C44—H44 | 0.9500 |
Au—P1 | 2.3818 (14) | C45—C46 | 1.383 (8) |
Au—P2 | 2.3990 (15) | C45—H45 | 0.9500 |
P1—C21 | 1.804 (5) | C46—H46 | 0.9500 |
P1—C11 | 1.820 (6) | C51—C56 | 1.369 (7) |
P1—C1 | 1.837 (5) | C51—C52 | 1.401 (7) |
P2—C51 | 1.806 (6) | C52—C53 | 1.372 (8) |
P2—C41 | 1.818 (5) | C52—H52 | 0.9500 |
P2—C2 | 1.849 (5) | C53—C54 | 1.378 (8) |
S1—C31 | 1.769 (6) | C53—H53 | 0.9500 |
S1—C1 | 1.823 (6) | C54—C55 | 1.374 (8) |
S2—C61 | 1.778 (6) | C54—H54 | 0.9500 |
S2—C2 | 1.810 (6) | C55—C56 | 1.361 (8) |
C1—H1A | 0.9900 | C55—H55 | 0.9500 |
C1—H1B | 0.9900 | C56—H56 | 0.9500 |
C2—H2A | 0.9900 | C61—C66 | 1.394 (7) |
C2—H2B | 0.9900 | C61—C62 | 1.406 (8) |
C11—C12 | 1.378 (7) | C62—C63 | 1.378 (8) |
C11—C16 | 1.405 (7) | C62—H62 | 0.9500 |
C12—C13 | 1.391 (7) | C63—C64 | 1.378 (8) |
C12—H12 | 0.9500 | C63—H63 | 0.9500 |
C13—C14 | 1.368 (7) | C64—C65 | 1.386 (9) |
C13—H13 | 0.9500 | C64—H64 | 0.9500 |
C14—C15 | 1.352 (7) | C65—C66 | 1.382 (8) |
C14—H14 | 0.9500 | C65—H65 | 0.9500 |
C15—C16 | 1.381 (8) | C66—H66 | 0.9500 |
C15—H15 | 0.9500 | C71—C76 | 1.372 (6) |
C16—H16 | 0.9500 | C71—C72 | 1.376 (7) |
C21—C26 | 1.391 (7) | C72—F1 | 1.343 (6) |
C21—C22 | 1.400 (7) | C72—C73 | 1.381 (7) |
C22—C23 | 1.402 (8) | C73—F2 | 1.340 (6) |
C22—H22 | 0.9500 | C73—C74 | 1.375 (7) |
C23—C24 | 1.371 (8) | C74—F3 | 1.335 (6) |
C23—H23 | 0.9500 | C74—C75 | 1.388 (7) |
C24—C25 | 1.379 (8) | C75—F4 | 1.341 (6) |
C24—H24 | 0.9500 | C75—C76 | 1.372 (7) |
C25—C26 | 1.399 (7) | C76—F5 | 1.349 (6) |
C25—H25 | 0.9500 | C81—C82 | 1.359 (8) |
C26—H26 | 0.9500 | C81—C86 | 1.364 (7) |
C31—C36 | 1.385 (7) | C82—F6 | 1.340 (7) |
C31—C32 | 1.388 (7) | C82—C83 | 1.379 (8) |
C32—C33 | 1.386 (8) | C83—F7 | 1.359 (8) |
C32—H32 | 0.9500 | C83—C84 | 1.364 (9) |
C33—C34 | 1.373 (8) | C84—F8 | 1.348 (8) |
C33—H33 | 0.9500 | C84—C85 | 1.368 (9) |
C34—C35 | 1.355 (8) | C85—F9 | 1.340 (8) |
C34—H34 | 0.9500 | C85—C86 | 1.394 (8) |
C35—C36 | 1.371 (7) | C86—F10 | 1.352 (7) |
C35—H35 | 0.9500 | Cl1—O4 | 1.395 (5) |
C36—H36 | 0.9500 | Cl1—O1 | 1.415 (5) |
C41—C42 | 1.402 (7) | Cl1—O2 | 1.436 (4) |
C41—C46 | 1.406 (7) | Cl1—O3 | 1.445 (4) |
C42—C43 | 1.398 (8) | C99—Cl3 | 1.700 (9) |
C42—H42 | 0.9500 | C99—Cl4 | 1.729 (9) |
C43—C44 | 1.388 (8) | C99—Cl2 | 1.748 (9) |
C43—H43 | 0.9500 | C99—H99 | 1.0000 |
C71—Au—C81 | 83.0 (2) | C42—C43—H43 | 119.8 |
C71—Au—P1 | 92.02 (14) | C45—C44—C43 | 121.2 (6) |
C81—Au—P1 | 170.25 (15) | C45—C44—H44 | 119.4 |
C71—Au—P2 | 168.21 (15) | C43—C44—H44 | 119.4 |
C81—Au—P2 | 89.47 (15) | C44—C45—C46 | 119.7 (7) |
P1—Au—P2 | 96.70 (5) | C44—C45—H45 | 120.2 |
C21—P1—C11 | 107.3 (2) | C46—C45—H45 | 120.2 |
C21—P1—C1 | 104.0 (2) | C45—C46—C41 | 119.6 (7) |
C11—P1—C1 | 105.5 (3) | C45—C46—H46 | 120.2 |
C21—P1—Au | 116.27 (18) | C41—C46—H46 | 120.2 |
C11—P1—Au | 109.54 (16) | C56—C51—C52 | 119.6 (6) |
C1—P1—Au | 113.56 (19) | C56—C51—P2 | 120.3 (4) |
C51—P2—C41 | 105.4 (2) | C52—C51—P2 | 120.0 (4) |
C51—P2—C2 | 107.7 (2) | C53—C52—C51 | 119.1 (6) |
C41—P2—C2 | 105.5 (3) | C53—C52—H52 | 120.5 |
C51—P2—Au | 118.44 (18) | C51—C52—H52 | 120.5 |
C41—P2—Au | 113.36 (18) | C52—C53—C54 | 120.1 (6) |
C2—P2—Au | 105.71 (18) | C52—C53—H53 | 120.0 |
C31—S1—C1 | 103.7 (3) | C54—C53—H53 | 120.0 |
C61—S2—C2 | 101.9 (2) | C55—C54—C53 | 120.7 (6) |
S1—C1—P1 | 108.9 (3) | C55—C54—H54 | 119.7 |
S1—C1—H1A | 109.9 | C53—C54—H54 | 119.7 |
P1—C1—H1A | 109.9 | C56—C55—C54 | 119.3 (6) |
S1—C1—H1B | 109.9 | C56—C55—H55 | 120.3 |
P1—C1—H1B | 109.9 | C54—C55—H55 | 120.3 |
H1A—C1—H1B | 108.3 | C55—C56—C51 | 121.2 (5) |
S2—C2—P2 | 108.3 (3) | C55—C56—H56 | 119.4 |
S2—C2—H2A | 110.0 | C51—C56—H56 | 119.4 |
P2—C2—H2A | 110.0 | C66—C61—C62 | 120.6 (6) |
S2—C2—H2B | 110.0 | C66—C61—S2 | 123.3 (5) |
P2—C2—H2B | 110.0 | C62—C61—S2 | 116.1 (4) |
H2A—C2—H2B | 108.4 | C63—C62—C61 | 118.6 (6) |
C12—C11—C16 | 119.6 (5) | C63—C62—H62 | 120.7 |
C12—C11—P1 | 121.1 (4) | C61—C62—H62 | 120.7 |
C16—C11—P1 | 119.3 (4) | C64—C63—C62 | 121.6 (7) |
C11—C12—C13 | 120.4 (5) | C64—C63—H63 | 119.2 |
C11—C12—H12 | 119.8 | C62—C63—H63 | 119.2 |
C13—C12—H12 | 119.8 | C63—C64—C65 | 119.1 (6) |
C14—C13—C12 | 118.6 (5) | C63—C64—H64 | 120.4 |
C14—C13—H13 | 120.7 | C65—C64—H64 | 120.4 |
C12—C13—H13 | 120.7 | C66—C65—C64 | 121.3 (6) |
C15—C14—C13 | 122.1 (6) | C66—C65—H65 | 119.4 |
C15—C14—H14 | 118.9 | C64—C65—H65 | 119.4 |
C13—C14—H14 | 118.9 | C65—C66—C61 | 118.8 (6) |
C14—C15—C16 | 120.2 (6) | C65—C66—H66 | 120.6 |
C14—C15—H15 | 119.9 | C61—C66—H66 | 120.6 |
C16—C15—H15 | 119.9 | C76—C71—C72 | 116.7 (5) |
C15—C16—C11 | 119.0 (6) | C76—C71—Au | 123.2 (4) |
C15—C16—H16 | 120.5 | C72—C71—Au | 118.9 (4) |
C11—C16—H16 | 120.5 | F1—C72—C71 | 120.5 (5) |
C26—C21—C22 | 120.4 (5) | F1—C72—C73 | 117.5 (5) |
C26—C21—P1 | 118.2 (4) | C71—C72—C73 | 122.0 (5) |
C22—C21—P1 | 121.3 (4) | F2—C73—C74 | 119.4 (5) |
C21—C22—C23 | 118.4 (6) | F2—C73—C72 | 120.4 (5) |
C21—C22—H22 | 120.8 | C74—C73—C72 | 120.1 (5) |
C23—C22—H22 | 120.8 | F3—C74—C73 | 121.0 (5) |
C24—C23—C22 | 120.9 (6) | F3—C74—C75 | 120.2 (5) |
C24—C23—H23 | 119.5 | C73—C74—C75 | 118.8 (5) |
C22—C23—H23 | 119.5 | F4—C75—C76 | 121.4 (5) |
C23—C24—C25 | 120.8 (6) | F4—C75—C74 | 119.2 (5) |
C23—C24—H24 | 119.6 | C76—C75—C74 | 119.5 (5) |
C25—C24—H24 | 119.6 | F5—C76—C75 | 117.6 (5) |
C24—C25—C26 | 119.5 (6) | F5—C76—C71 | 119.5 (5) |
C24—C25—H25 | 120.2 | C75—C76—C71 | 122.8 (5) |
C26—C25—H25 | 120.2 | C82—C81—C86 | 118.0 (6) |
C21—C26—C25 | 120.0 (6) | C82—C81—Au | 124.4 (5) |
C21—C26—H26 | 120.0 | C86—C81—Au | 117.5 (4) |
C25—C26—H26 | 120.0 | F6—C82—C81 | 120.7 (5) |
C36—C31—C32 | 119.0 (5) | F6—C82—C83 | 117.6 (6) |
C36—C31—S1 | 125.6 (4) | C81—C82—C83 | 121.8 (7) |
C32—C31—S1 | 115.4 (4) | F7—C83—C84 | 120.2 (6) |
C33—C32—C31 | 119.2 (6) | F7—C83—C82 | 120.3 (7) |
C33—C32—H32 | 120.4 | C84—C83—C82 | 119.4 (7) |
C31—C32—H32 | 120.4 | F8—C84—C83 | 119.9 (7) |
C34—C33—C32 | 120.4 (6) | F8—C84—C85 | 119.6 (7) |
C34—C33—H33 | 119.8 | C83—C84—C85 | 120.5 (6) |
C32—C33—H33 | 119.8 | F9—C85—C84 | 121.5 (6) |
C35—C34—C33 | 120.6 (6) | F9—C85—C86 | 120.0 (7) |
C35—C34—H34 | 119.7 | C84—C85—C86 | 118.5 (7) |
C33—C34—H34 | 119.7 | F10—C86—C81 | 121.3 (5) |
C34—C35—C36 | 119.7 (6) | F10—C86—C85 | 116.9 (6) |
C34—C35—H35 | 120.1 | C81—C86—C85 | 121.7 (7) |
C36—C35—H35 | 120.1 | O4—Cl1—O1 | 112.2 (4) |
C35—C36—C31 | 121.1 (6) | O4—Cl1—O2 | 111.1 (3) |
C35—C36—H36 | 119.5 | O1—Cl1—O2 | 109.0 (3) |
C31—C36—H36 | 119.5 | O4—Cl1—O3 | 107.0 (4) |
C42—C41—C46 | 121.0 (5) | O1—Cl1—O3 | 108.5 (3) |
C42—C41—P2 | 118.1 (4) | O2—Cl1—O3 | 109.0 (3) |
C46—C41—P2 | 120.8 (4) | Cl3—C99—Cl4 | 110.0 (5) |
C43—C42—C41 | 118.0 (6) | Cl3—C99—Cl2 | 112.3 (6) |
C43—C42—H42 | 121.0 | Cl4—C99—Cl2 | 109.6 (5) |
C41—C42—H42 | 121.0 | Cl3—C99—H99 | 108.3 |
C44—C43—C42 | 120.5 (7) | Cl4—C99—H99 | 108.3 |
C44—C43—H43 | 119.8 | Cl2—C99—H99 | 108.3 |
C71—Au—P1—C21 | 139.7 (3) | Au—P2—C51—C52 | 145.4 (4) |
P2—Au—P1—C21 | −32.4 (2) | C56—C51—C52—C53 | 0.8 (8) |
C71—Au—P1—C11 | −98.5 (2) | P2—C51—C52—C53 | 177.5 (5) |
P2—Au—P1—C11 | 89.43 (17) | C51—C52—C53—C54 | 0.4 (9) |
C71—Au—P1—C1 | 19.1 (3) | C52—C53—C54—C55 | −0.1 (11) |
P2—Au—P1—C1 | −152.9 (2) | C53—C54—C55—C56 | −1.4 (12) |
C81—Au—P2—C51 | 124.4 (2) | C54—C55—C56—C51 | 2.7 (10) |
P1—Au—P2—C51 | −48.0 (2) | C52—C51—C56—C55 | −2.4 (9) |
C81—Au—P2—C41 | 0.2 (2) | P2—C51—C56—C55 | −179.0 (5) |
P1—Au—P2—C41 | −172.2 (2) | C2—S2—C61—C66 | −34.3 (6) |
C81—Au—P2—C2 | −114.8 (2) | C2—S2—C61—C62 | 146.9 (4) |
P1—Au—P2—C2 | 72.73 (19) | C66—C61—C62—C63 | −0.4 (8) |
C31—S1—C1—P1 | 144.2 (3) | S2—C61—C62—C63 | 178.4 (5) |
C21—P1—C1—S1 | 148.1 (3) | C61—C62—C63—C64 | 1.8 (9) |
C11—P1—C1—S1 | 35.3 (3) | C62—C63—C64—C65 | −1.2 (11) |
Au—P1—C1—S1 | −84.6 (3) | C63—C64—C65—C66 | −0.8 (11) |
C61—S2—C2—P2 | −161.4 (3) | C64—C65—C66—C61 | 2.2 (10) |
C51—P2—C2—S2 | 160.3 (3) | C62—C61—C66—C65 | −1.5 (9) |
C41—P2—C2—S2 | −87.6 (3) | S2—C61—C66—C65 | 179.8 (5) |
Au—P2—C2—S2 | 32.8 (3) | C81—Au—C71—C76 | −69.7 (5) |
C21—P1—C11—C12 | 138.9 (4) | P1—Au—C71—C76 | 101.8 (4) |
C1—P1—C11—C12 | −110.7 (4) | P2—Au—C71—C76 | −120.4 (6) |
Au—P1—C11—C12 | 11.9 (4) | C81—Au—C71—C72 | 97.5 (4) |
C21—P1—C11—C16 | −43.4 (5) | P1—Au—C71—C72 | −90.9 (3) |
C1—P1—C11—C16 | 66.9 (4) | P2—Au—C71—C72 | 46.9 (9) |
Au—P1—C11—C16 | −170.5 (4) | C76—C71—C72—F1 | −179.9 (5) |
C16—C11—C12—C13 | 1.5 (7) | Au—C71—C72—F1 | 12.0 (6) |
P1—C11—C12—C13 | 179.1 (4) | C76—C71—C72—C73 | −0.1 (6) |
C11—C12—C13—C14 | −1.7 (7) | Au—C71—C72—C73 | −168.2 (4) |
C12—C13—C14—C15 | −0.1 (9) | F1—C72—C73—F2 | −1.8 (7) |
C13—C14—C15—C16 | 2.0 (10) | C71—C72—C73—F2 | 178.5 (5) |
C14—C15—C16—C11 | −2.2 (10) | F1—C72—C73—C74 | 179.9 (5) |
C12—C11—C16—C15 | 0.4 (8) | C71—C72—C73—C74 | 0.2 (7) |
P1—C11—C16—C15 | −177.3 (5) | F2—C73—C74—F3 | 1.0 (8) |
C11—P1—C21—C26 | 154.3 (4) | C72—C73—C74—F3 | 179.3 (4) |
C1—P1—C21—C26 | 42.9 (5) | F2—C73—C74—C75 | −180.0 (5) |
Au—P1—C21—C26 | −82.7 (4) | C72—C73—C74—C75 | −1.7 (8) |
C11—P1—C21—C22 | −28.8 (5) | F3—C74—C75—F4 | 1.8 (8) |
C1—P1—C21—C22 | −140.3 (5) | C73—C74—C75—F4 | −177.3 (5) |
Au—P1—C21—C22 | 94.1 (4) | F3—C74—C75—C76 | −177.8 (5) |
C26—C21—C22—C23 | 0.9 (8) | C73—C74—C75—C76 | 3.1 (8) |
P1—C21—C22—C23 | −175.9 (4) | F4—C75—C76—F5 | −2.7 (8) |
C21—C22—C23—C24 | −0.4 (8) | C74—C75—C76—F5 | 176.9 (5) |
C22—C23—C24—C25 | −0.7 (10) | F4—C75—C76—C71 | 177.2 (5) |
C23—C24—C25—C26 | 1.2 (10) | C74—C75—C76—C71 | −3.2 (8) |
C22—C21—C26—C25 | −0.5 (8) | C72—C71—C76—F5 | −178.4 (4) |
P1—C21—C26—C25 | 176.4 (4) | Au—C71—C76—F5 | −10.9 (7) |
C24—C25—C26—C21 | −0.6 (9) | C72—C71—C76—C75 | 1.7 (8) |
C1—S1—C31—C36 | 19.8 (6) | Au—C71—C76—C75 | 169.2 (4) |
C1—S1—C31—C32 | −162.8 (4) | C71—Au—C81—C82 | −67.2 (4) |
C36—C31—C32—C33 | −0.1 (8) | P2—Au—C81—C82 | 103.7 (4) |
S1—C31—C32—C33 | −177.6 (4) | C71—Au—C81—C86 | 109.3 (5) |
C31—C32—C33—C34 | −1.1 (9) | P2—Au—C81—C86 | −79.8 (4) |
C32—C33—C34—C35 | 1.8 (10) | C86—C81—C82—F6 | −179.0 (6) |
C33—C34—C35—C36 | −1.3 (11) | Au—C81—C82—F6 | −2.5 (7) |
C34—C35—C36—C31 | 0.1 (10) | C86—C81—C82—C83 | 1.2 (7) |
C32—C31—C36—C35 | 0.6 (9) | Au—C81—C82—C83 | 177.7 (4) |
S1—C31—C36—C35 | 177.9 (5) | F6—C82—C83—F7 | −1.9 (7) |
C51—P2—C41—C42 | −35.7 (5) | C81—C82—C83—F7 | 177.8 (6) |
C2—P2—C41—C42 | −149.5 (4) | F6—C82—C83—C84 | 179.3 (7) |
Au—P2—C41—C42 | 95.3 (4) | C81—C82—C83—C84 | −0.9 (8) |
C51—P2—C41—C46 | 147.6 (5) | F7—C83—C84—F8 | 0.3 (11) |
C2—P2—C41—C46 | 33.9 (5) | C82—C83—C84—F8 | 179.0 (6) |
Au—P2—C41—C46 | −81.3 (5) | F7—C83—C84—C85 | −178.5 (7) |
C46—C41—C42—C43 | 1.6 (8) | C82—C83—C84—C85 | 0.3 (11) |
P2—C41—C42—C43 | −175.0 (5) | F8—C84—C85—F9 | 0.3 (13) |
C41—C42—C43—C44 | −1.3 (9) | C83—C84—C85—F9 | 179.0 (7) |
C42—C43—C44—C45 | 1.8 (11) | F8—C84—C85—C86 | −178.8 (6) |
C43—C44—C45—C46 | −2.6 (11) | C83—C84—C85—C86 | 0.0 (13) |
C44—C45—C46—C41 | 2.9 (10) | C82—C81—C86—F10 | 179.6 (5) |
C42—C41—C46—C45 | −2.4 (9) | Au—C81—C86—F10 | 2.9 (8) |
P2—C41—C46—C45 | 174.1 (5) | C82—C81—C86—C85 | −0.9 (9) |
C41—P2—C51—C56 | 90.2 (5) | Au—C81—C86—C85 | −177.7 (5) |
C2—P2—C51—C56 | −157.6 (4) | F9—C85—C86—F10 | 0.7 (10) |
Au—P2—C51—C56 | −37.9 (5) | C84—C85—C86—F10 | 179.8 (7) |
C41—P2—C51—C52 | −86.5 (5) | F9—C85—C86—C81 | −178.7 (6) |
C2—P2—C51—C52 | 25.7 (5) | C84—C85—C86—C81 | 0.4 (11) |
D—H···A | D—H | H···A | D···A | D—H···A |
C2—H2A···O3 | 0.99 | 2.49 | 3.118 (7) | 121 |
C52—H52···O3 | 0.95 | 2.41 | 3.353 (8) | 171 |
C66—H66···O3 | 0.95 | 2.61 | 3.473 (8) | 152 |
C36—H36···O1i | 0.95 | 2.60 | 3.454 (8) | 149 |
C1—H1A···O2i | 0.99 | 2.59 | 3.345 (8) | 133 |
C26—H26···O2i | 0.95 | 2.67 | 3.605 (8) | 167 |
C36—H36···O2i | 0.95 | 2.60 | 3.487 (7) | 156 |
C14—H14···O2ii | 0.95 | 2.61 | 3.328 (7) | 133 |
C15—H15···O4ii | 0.95 | 2.46 | 3.380 (8) | 163 |
Symmetry codes: (i) −x+1, y−1/2, −z+3/2; (ii) −x, y−1/2, −z+3/2. |