Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100003760/ln1100sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270100003760/ln1100Isup2.hkl |
CCDC reference: 146046
Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 1990).
[Au(C6H10NS2)(C18H15P)2] | F(000) = 880 |
Mr = 881.78 | Dx = 1.551 Mg m−3 |
Triclinic, P1 | Melting point: 424 K K |
a = 10.1318 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 13.2019 (2) Å | Cell parameters from 3234 reflections |
c = 14.9565 (5) Å | θ = 2.9–28.4° |
α = 77.207 (1)° | µ = 4.12 mm−1 |
β = 80.992 (2)° | T = 293 K |
γ = 76.834 (2)° | Slab, colourless |
V = 1887.71 (8) Å3 | 0.46 × 0.20 × 0.12 mm |
Z = 2 |
Siemens SMART CCD area detector diffractometer | 6550 independent reflections |
Radiation source: fine-focus sealed tube | 4263 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.069 |
Detector resolution: 8.33 pixels mm-1 | θmax = 25°, θmin = 2.9° |
ω scans | h = −12→11 |
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996) | k = −15→15 |
Tmin = 0.253, Tmax = 0.638 | l = −17→12 |
10680 measured reflections |
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) = 0.124 | H-atom parameters constrained |
S = 0.89 | w = 1/[σ2(Fo2) + (0.049P)2] where P = (Fo2 + 2Fc2)/3 |
6550 reflections | (Δ/σ)max < 0.001 |
433 parameters | Δρmax = 1.65 e Å−3 |
0 restraints | Δρmin = −2.38 e Å−3 |
Experimental. The data collection covered over a hemisphere of reciprocal space by a combination of three sets of exposures; each set had a different φ angle (0, 88 and 180°) for the crystal and each exposure of 10 s covered 0.3° in ω. The crystal-to-detector distance was 4 cm and the detector swing angle was -35°. Crystal decay was monitored by repeating fifty initial frames at the end of data collection and analysing the intensity of duplicate reflections, and was found to be negligible. |
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 | −0.13760 (4) | 0.22377 (3) | 0.27471 (3) | 0.03261 (15) | |
S1 | −0.1394 (2) | 0.3194 (2) | 0.08367 (19) | 0.0449 (7) | |
S2 | 0.0852 (2) | 0.2814 (2) | 0.19883 (18) | 0.0425 (7) | |
P1 | −0.2721 (2) | 0.34304 (17) | 0.36300 (17) | 0.0267 (6) | |
P2 | −0.1550 (2) | 0.05213 (18) | 0.26538 (18) | 0.0307 (6) | |
N1 | 0.1073 (8) | 0.3634 (6) | 0.0195 (6) | 0.043 (2) | |
C1 | −0.2216 (9) | 0.4648 (7) | 0.3662 (7) | 0.033 (2) | |
C2 | −0.0846 (9) | 0.4663 (8) | 0.3713 (7) | 0.043 (3) | |
H2A | −0.0180 | 0.4059 | 0.3655 | 0.052* | |
C3 | −0.0469 (11) | 0.5552 (8) | 0.3847 (8) | 0.052 (3) | |
H3A | 0.0439 | 0.5533 | 0.3901 | 0.063* | |
C4 | −0.1414 (11) | 0.6461 (8) | 0.3900 (7) | 0.045 (3) | |
H4A | −0.1157 | 0.7055 | 0.4001 | 0.054* | |
C5 | −0.2759 (10) | 0.6492 (7) | 0.3803 (7) | 0.043 (3) | |
H5A | −0.3395 | 0.7123 | 0.3807 | 0.052* | |
C6 | −0.3169 (10) | 0.5603 (7) | 0.3701 (7) | 0.039 (3) | |
H6A | −0.4084 | 0.5633 | 0.3657 | 0.047* | |
C7 | −0.3012 (9) | 0.2864 (7) | 0.4846 (6) | 0.030 (2) | |
C8 | −0.3052 (10) | 0.3389 (8) | 0.5542 (7) | 0.048 (3) | |
H8A | −0.2964 | 0.4094 | 0.5388 | 0.057* | |
C9 | −0.3219 (11) | 0.2922 (10) | 0.6471 (8) | 0.059 (3) | |
H9A | −0.3203 | 0.3291 | 0.6931 | 0.071* | |
C10 | −0.3409 (11) | 0.1885 (9) | 0.6683 (8) | 0.056 (3) | |
H10A | −0.3539 | 0.1556 | 0.7298 | 0.067* | |
C11 | −0.3409 (10) | 0.1330 (8) | 0.6005 (8) | 0.048 (3) | |
H11A | −0.3561 | 0.0640 | 0.6158 | 0.058* | |
C12 | −0.3180 (9) | 0.1813 (7) | 0.5098 (8) | 0.042 (3) | |
H12A | −0.3136 | 0.1429 | 0.4638 | 0.051* | |
C13 | −0.4412 (9) | 0.3875 (7) | 0.3239 (7) | 0.035 (2) | |
C14 | −0.4507 (10) | 0.4274 (8) | 0.2306 (8) | 0.046 (3) | |
H14A | −0.3711 | 0.4306 | 0.1905 | 0.055* | |
C15 | −0.5750 (12) | 0.4625 (8) | 0.1957 (9) | 0.060 (3) | |
H15A | −0.5796 | 0.4940 | 0.1339 | 0.072* | |
C16 | −0.6944 (11) | 0.4500 (8) | 0.2551 (9) | 0.054 (3) | |
H16A | −0.7785 | 0.4682 | 0.2320 | 0.065* | |
C17 | −0.6861 (10) | 0.4104 (9) | 0.3483 (9) | 0.057 (3) | |
H17A | −0.7657 | 0.4044 | 0.3877 | 0.069* | |
C18 | −0.5616 (9) | 0.3793 (7) | 0.3840 (8) | 0.045 (3) | |
H18A | −0.5577 | 0.3535 | 0.4469 | 0.053* | |
C19 | −0.0199 (9) | −0.0234 (7) | 0.1940 (7) | 0.031 (2) | |
C20 | 0.0134 (10) | −0.1334 (8) | 0.2122 (8) | 0.048 (3) | |
H20A | −0.0313 | −0.1720 | 0.2628 | 0.058* | |
C21 | 0.1131 (12) | −0.1849 (10) | 0.1547 (10) | 0.065 (4) | |
H21A | 0.1357 | −0.2586 | 0.1659 | 0.078* | |
C22 | 0.1790 (11) | −0.1263 (11) | 0.0806 (10) | 0.065 (4) | |
H22A | 0.2454 | −0.1611 | 0.0413 | 0.078* | |
C23 | 0.1485 (12) | −0.0179 (10) | 0.0636 (9) | 0.071 (4) | |
H23A | 0.1929 | 0.0213 | 0.0131 | 0.085* | |
C24 | 0.0523 (11) | 0.0308 (9) | 0.1221 (8) | 0.054 (3) | |
H24A | 0.0345 | 0.1045 | 0.1128 | 0.065* | |
C25 | −0.3127 (9) | 0.0574 (7) | 0.2182 (6) | 0.033 (2) | |
C26 | −0.3312 (10) | −0.0203 (8) | 0.1768 (7) | 0.045 (3) | |
H26A | −0.2588 | −0.0764 | 0.1688 | 0.054* | |
C27 | −0.4557 (11) | −0.0179 (9) | 0.1462 (8) | 0.057 (3) | |
H27A | −0.4655 | −0.0701 | 0.1164 | 0.068* | |
C28 | −0.5632 (10) | 0.0636 (9) | 0.1611 (8) | 0.052 (3) | |
H28A | −0.6468 | 0.0660 | 0.1416 | 0.062* | |
C29 | −0.5490 (11) | 0.1445 (10) | 0.2060 (9) | 0.063 (4) | |
H29A | −0.6222 | 0.1990 | 0.2169 | 0.075* | |
C30 | −0.4245 (10) | 0.1394 (8) | 0.2325 (8) | 0.052 (3) | |
H30A | −0.4132 | 0.1922 | 0.2610 | 0.062* | |
C31 | −0.1719 (9) | −0.0361 (7) | 0.3770 (7) | 0.034 (2) | |
C32 | −0.0584 (10) | −0.0730 (7) | 0.4290 (7) | 0.041 (3) | |
H32A | 0.0257 | −0.0569 | 0.4030 | 0.049* | |
C33 | −0.0699 (12) | −0.1305 (8) | 0.5149 (8) | 0.052 (3) | |
H33A | 0.0068 | −0.1539 | 0.5467 | 0.063* | |
C34 | −0.1912 (13) | −0.1558 (8) | 0.5571 (8) | 0.059 (3) | |
H34A | −0.1972 | −0.1953 | 0.6168 | 0.071* | |
C35 | −0.3054 (11) | −0.1214 (8) | 0.5092 (8) | 0.051 (3) | |
H35A | −0.3887 | −0.1375 | 0.5374 | 0.062* | |
C36 | −0.2957 (9) | −0.0626 (7) | 0.4187 (7) | 0.037 (2) | |
H36A | −0.3720 | −0.0414 | 0.3865 | 0.044* | |
C37 | 0.0262 (9) | 0.3252 (7) | 0.0946 (7) | 0.038 (2) | |
C38 | 0.2484 (10) | 0.3673 (9) | 0.0253 (8) | 0.056 (3) | |
H38A | 0.2677 | 0.3452 | 0.0890 | 0.067* | |
H38B | 0.2620 | 0.4395 | 0.0038 | 0.067* | |
C39 | 0.3462 (12) | 0.2946 (10) | −0.0335 (8) | 0.068 (4) | |
H39A | 0.4383 | 0.3050 | −0.0350 | 0.081* | |
H39B | 0.3441 | 0.2213 | −0.0050 | 0.081* | |
C40 | 0.3105 (12) | 0.3150 (9) | −0.1311 (8) | 0.064 (3) | |
H40A | 0.3648 | 0.2597 | −0.1623 | 0.077* | |
H40B | 0.3319 | 0.3823 | −0.1643 | 0.077* | |
C41 | 0.1591 (12) | 0.3174 (9) | −0.1318 (8) | 0.059 (3) | |
H41A | 0.1365 | 0.3393 | −0.1948 | 0.071* | |
H41B | 0.1415 | 0.2465 | −0.1086 | 0.071* | |
C42 | 0.0698 (11) | 0.3913 (9) | −0.0745 (7) | 0.057 (3) | |
H42A | 0.0794 | 0.4635 | −0.1013 | 0.069* | |
H42B | −0.0248 | 0.3871 | −0.0735 | 0.069* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Au1 | 0.0324 (2) | 0.0319 (2) | 0.0336 (2) | −0.00318 (14) | −0.00047 (16) | −0.01220 (17) |
S1 | 0.0414 (14) | 0.0526 (16) | 0.0403 (17) | −0.0077 (12) | −0.0101 (13) | −0.0061 (14) |
S2 | 0.0349 (13) | 0.0634 (17) | 0.0300 (15) | −0.0151 (12) | −0.0032 (12) | −0.0057 (14) |
P1 | 0.0278 (12) | 0.0258 (12) | 0.0280 (15) | −0.0019 (10) | −0.0006 (11) | −0.0135 (11) |
P2 | 0.0285 (12) | 0.0290 (13) | 0.0362 (16) | −0.0033 (10) | −0.0013 (12) | −0.0138 (12) |
N1 | 0.052 (5) | 0.053 (5) | 0.030 (5) | −0.020 (4) | 0.002 (5) | −0.010 (4) |
C1 | 0.036 (5) | 0.041 (6) | 0.026 (6) | −0.015 (4) | −0.001 (5) | −0.011 (5) |
C2 | 0.038 (6) | 0.047 (6) | 0.051 (7) | −0.005 (5) | −0.009 (5) | −0.023 (6) |
C3 | 0.046 (6) | 0.047 (7) | 0.073 (9) | −0.018 (5) | −0.010 (6) | −0.022 (6) |
C4 | 0.067 (7) | 0.033 (6) | 0.046 (7) | −0.025 (5) | −0.002 (6) | −0.019 (5) |
C5 | 0.057 (7) | 0.027 (5) | 0.046 (7) | −0.009 (5) | 0.003 (6) | −0.013 (5) |
C6 | 0.038 (5) | 0.038 (6) | 0.038 (7) | 0.002 (5) | 0.002 (5) | −0.017 (5) |
C7 | 0.036 (5) | 0.028 (5) | 0.027 (6) | −0.003 (4) | −0.008 (5) | −0.009 (5) |
C8 | 0.060 (7) | 0.038 (6) | 0.042 (7) | −0.005 (5) | 0.001 (6) | −0.011 (6) |
C9 | 0.075 (8) | 0.065 (8) | 0.038 (8) | −0.007 (7) | −0.013 (7) | −0.013 (7) |
C10 | 0.060 (7) | 0.060 (8) | 0.035 (7) | −0.011 (6) | 0.003 (6) | 0.009 (6) |
C11 | 0.061 (7) | 0.028 (5) | 0.055 (8) | −0.015 (5) | 0.012 (6) | −0.012 (6) |
C12 | 0.051 (6) | 0.034 (6) | 0.043 (7) | −0.010 (5) | 0.002 (6) | −0.013 (5) |
C13 | 0.032 (5) | 0.030 (5) | 0.040 (7) | −0.004 (4) | 0.000 (5) | −0.008 (5) |
C14 | 0.043 (6) | 0.049 (6) | 0.043 (7) | 0.000 (5) | −0.002 (6) | −0.014 (6) |
C15 | 0.074 (8) | 0.048 (7) | 0.059 (9) | 0.014 (6) | −0.033 (8) | −0.022 (6) |
C16 | 0.040 (6) | 0.051 (7) | 0.072 (10) | 0.009 (5) | −0.021 (7) | −0.023 (7) |
C17 | 0.030 (6) | 0.067 (8) | 0.077 (10) | −0.010 (5) | 0.006 (6) | −0.026 (7) |
C18 | 0.046 (6) | 0.043 (6) | 0.046 (7) | −0.007 (5) | −0.009 (6) | −0.011 (5) |
C19 | 0.030 (5) | 0.045 (6) | 0.027 (6) | −0.018 (4) | 0.000 (5) | −0.018 (5) |
C20 | 0.058 (7) | 0.037 (6) | 0.046 (7) | 0.005 (5) | −0.001 (6) | −0.018 (6) |
C21 | 0.064 (8) | 0.057 (8) | 0.072 (10) | 0.011 (6) | −0.008 (8) | −0.035 (7) |
C22 | 0.039 (6) | 0.088 (10) | 0.081 (10) | 0.006 (7) | −0.001 (7) | −0.065 (9) |
C23 | 0.068 (8) | 0.078 (9) | 0.055 (9) | −0.012 (7) | 0.035 (7) | −0.023 (7) |
C24 | 0.059 (7) | 0.050 (7) | 0.045 (7) | −0.007 (6) | 0.022 (6) | −0.018 (6) |
C25 | 0.039 (5) | 0.033 (5) | 0.021 (5) | −0.007 (4) | 0.003 (5) | 0.000 (5) |
C26 | 0.049 (6) | 0.040 (6) | 0.054 (8) | −0.001 (5) | −0.018 (6) | −0.026 (6) |
C27 | 0.058 (7) | 0.069 (8) | 0.060 (9) | −0.023 (6) | −0.017 (7) | −0.027 (7) |
C28 | 0.040 (6) | 0.059 (7) | 0.062 (8) | −0.004 (5) | −0.022 (6) | −0.019 (7) |
C29 | 0.048 (7) | 0.064 (8) | 0.078 (10) | 0.005 (6) | −0.027 (7) | −0.020 (7) |
C30 | 0.052 (7) | 0.050 (7) | 0.059 (8) | −0.002 (5) | −0.025 (6) | −0.019 (6) |
C31 | 0.042 (5) | 0.022 (5) | 0.040 (6) | 0.000 (4) | −0.009 (5) | −0.017 (5) |
C32 | 0.042 (6) | 0.040 (6) | 0.043 (7) | −0.007 (5) | −0.006 (5) | −0.012 (5) |
C33 | 0.064 (7) | 0.052 (7) | 0.048 (8) | −0.015 (6) | −0.025 (7) | −0.007 (6) |
C34 | 0.087 (9) | 0.045 (7) | 0.045 (8) | −0.011 (6) | −0.036 (8) | 0.011 (6) |
C35 | 0.061 (7) | 0.040 (6) | 0.053 (8) | −0.022 (6) | 0.013 (6) | −0.011 (6) |
C36 | 0.037 (5) | 0.029 (5) | 0.044 (7) | −0.012 (4) | −0.007 (5) | 0.001 (5) |
C37 | 0.034 (5) | 0.042 (6) | 0.038 (7) | 0.001 (5) | −0.001 (5) | −0.018 (5) |
C38 | 0.047 (6) | 0.081 (8) | 0.047 (8) | −0.032 (6) | 0.003 (6) | −0.011 (7) |
C39 | 0.062 (7) | 0.083 (9) | 0.048 (8) | −0.012 (7) | 0.010 (7) | −0.006 (7) |
C40 | 0.081 (9) | 0.059 (8) | 0.043 (8) | −0.004 (7) | 0.011 (7) | −0.012 (6) |
C41 | 0.091 (9) | 0.058 (7) | 0.031 (7) | −0.014 (7) | −0.007 (7) | −0.015 (6) |
C42 | 0.067 (7) | 0.064 (8) | 0.031 (7) | −0.002 (6) | −0.003 (6) | −0.003 (6) |
Au1—P1 | 2.336 (2) | C19—C24 | 1.363 (13) |
Au1—P2 | 2.348 (2) | C19—C20 | 1.388 (13) |
Au1—S2 | 2.561 (2) | C20—C21 | 1.377 (14) |
Au1—S1 | 2.858 (3) | C20—H20A | 0.9300 |
S1—C37 | 1.731 (9) | C21—C22 | 1.378 (16) |
S2—C37 | 1.690 (10) | C21—H21A | 0.9300 |
P1—C1 | 1.807 (9) | C22—C23 | 1.368 (16) |
P1—C7 | 1.812 (10) | C22—H22A | 0.9300 |
P1—C13 | 1.824 (9) | C23—C24 | 1.351 (14) |
P2—C31 | 1.820 (10) | C23—H23A | 0.9300 |
P2—C25 | 1.827 (10) | C24—H24A | 0.9300 |
P2—C19 | 1.844 (9) | C25—C26 | 1.370 (13) |
N1—C37 | 1.357 (12) | C25—C30 | 1.402 (13) |
N1—C38 | 1.459 (12) | C26—C27 | 1.400 (14) |
N1—C42 | 1.460 (13) | C26—H26A | 0.9300 |
C1—C2 | 1.407 (12) | C27—C28 | 1.375 (14) |
C1—C6 | 1.409 (12) | C27—H27A | 0.9300 |
C2—C3 | 1.377 (13) | C28—C29 | 1.425 (15) |
C2—H2A | 0.9300 | C28—H28A | 0.9300 |
C3—C4 | 1.363 (13) | C29—C30 | 1.363 (14) |
C3—H3A | 0.9300 | C29—H29A | 0.9300 |
C4—C5 | 1.383 (14) | C30—H30A | 0.9300 |
C4—H4A | 0.9300 | C31—C36 | 1.394 (12) |
C5—C6 | 1.377 (13) | C31—C32 | 1.423 (13) |
C5—H5A | 0.9300 | C32—C33 | 1.343 (14) |
C6—H6A | 0.9300 | C32—H32A | 0.9300 |
C7—C8 | 1.364 (13) | C33—C34 | 1.367 (15) |
C7—C12 | 1.398 (12) | C33—H33A | 0.9300 |
C8—C9 | 1.390 (15) | C34—C35 | 1.390 (15) |
C8—H8A | 0.9300 | C34—H34A | 0.9300 |
C9—C10 | 1.387 (15) | C35—C36 | 1.406 (14) |
C9—H9A | 0.9300 | C35—H35A | 0.9300 |
C10—C11 | 1.377 (15) | C36—H36A | 0.9300 |
C10—H10A | 0.9300 | C38—C39 | 1.531 (15) |
C11—C12 | 1.373 (14) | C38—H38A | 0.9700 |
C11—H11A | 0.9300 | C38—H38B | 0.9700 |
C12—H12A | 0.9300 | C39—C40 | 1.510 (16) |
C13—C14 | 1.389 (14) | C39—H39A | 0.9700 |
C13—C18 | 1.408 (13) | C39—H39B | 0.9700 |
C14—C15 | 1.380 (14) | C40—C41 | 1.528 (15) |
C14—H14A | 0.9300 | C40—H40A | 0.9700 |
C15—C16 | 1.402 (15) | C40—H40B | 0.9700 |
C15—H15A | 0.9300 | C41—C42 | 1.493 (14) |
C16—C17 | 1.385 (16) | C41—H41A | 0.9700 |
C16—H16A | 0.9300 | C41—H41B | 0.9700 |
C17—C18 | 1.387 (14) | C42—H42A | 0.9700 |
C17—H17A | 0.9300 | C42—H42B | 0.9700 |
C18—H18A | 0.9300 | ||
P1—Au1—P2 | 130.86 (8) | C19—C20—H20A | 120.2 |
P1—Au1—S2 | 112.26 (9) | C20—C21—C22 | 119.3 (11) |
P2—Au1—S2 | 115.94 (9) | C20—C21—H21A | 120.3 |
P1—Au1—S1 | 109.05 (8) | C22—C21—H21A | 120.3 |
P2—Au1—S1 | 98.80 (9) | C23—C22—C21 | 121.3 (11) |
S2—Au1—S1 | 65.77 (8) | C23—C22—H22A | 119.4 |
C37—S1—Au1 | 82.2 (4) | C21—C22—H22A | 119.4 |
C37—S2—Au1 | 92.6 (3) | C24—C23—C22 | 118.2 (12) |
C1—P1—C7 | 102.0 (4) | C24—C23—H23A | 120.9 |
C1—P1—C13 | 103.7 (4) | C22—C23—H23A | 120.9 |
C7—P1—C13 | 105.3 (4) | C23—C24—C19 | 122.8 (11) |
C1—P1—Au1 | 120.8 (3) | C23—C24—H24A | 118.6 |
C7—P1—Au1 | 113.9 (3) | C19—C24—H24A | 118.6 |
C13—P1—Au1 | 109.6 (3) | C26—C25—C30 | 118.1 (9) |
C31—P2—C25 | 103.1 (4) | C26—C25—P2 | 122.9 (7) |
C31—P2—C19 | 105.3 (4) | C30—C25—P2 | 118.7 (8) |
C25—P2—C19 | 104.9 (4) | C25—C26—C27 | 122.0 (10) |
C31—P2—Au1 | 113.9 (3) | C25—C26—H26A | 119.0 |
C25—P2—Au1 | 109.7 (3) | C27—C26—H26A | 119.0 |
C19—P2—Au1 | 118.5 (3) | C28—C27—C26 | 118.4 (10) |
C37—N1—C38 | 121.5 (9) | C28—C27—H27A | 120.8 |
C37—N1—C42 | 124.2 (9) | C26—C27—H27A | 120.8 |
C38—N1—C42 | 113.8 (9) | C27—C28—C29 | 121.2 (9) |
C2—C1—C6 | 116.9 (9) | C27—C28—H28A | 119.4 |
C2—C1—P1 | 120.7 (7) | C29—C28—H28A | 119.4 |
C6—C1—P1 | 122.3 (7) | C30—C29—C28 | 117.8 (10) |
C3—C2—C1 | 121.4 (9) | C30—C29—H29A | 121.1 |
C3—C2—H2A | 119.3 | C28—C29—H29A | 121.1 |
C1—C2—H2A | 119.3 | C29—C30—C25 | 122.4 (11) |
C4—C3—C2 | 120.6 (9) | C29—C30—H30A | 118.8 |
C4—C3—H3A | 119.7 | C25—C30—H30A | 118.8 |
C2—C3—H3A | 119.7 | C36—C31—C32 | 117.2 (9) |
C3—C4—C5 | 119.5 (9) | C36—C31—P2 | 122.8 (7) |
C3—C4—H4A | 120.2 | C32—C31—P2 | 119.7 (7) |
C5—C4—H4A | 120.2 | C33—C32—C31 | 121.5 (10) |
C6—C5—C4 | 120.9 (9) | C33—C32—H32A | 119.3 |
C6—C5—H5A | 119.5 | C31—C32—H32A | 119.3 |
C4—C5—H5A | 119.5 | C32—C33—C34 | 121.9 (10) |
C5—C6—C1 | 120.6 (9) | C32—C33—H33A | 119.1 |
C5—C6—H6A | 119.7 | C34—C33—H33A | 119.1 |
C1—C6—H6A | 119.7 | C33—C34—C35 | 118.9 (10) |
C8—C7—C12 | 117.1 (9) | C33—C34—H34A | 120.5 |
C8—C7—P1 | 124.4 (7) | C35—C34—H34A | 120.5 |
C12—C7—P1 | 118.5 (8) | C34—C35—C36 | 120.4 (10) |
C7—C8—C9 | 123.3 (10) | C34—C35—H35A | 119.8 |
C7—C8—H8A | 118.3 | C36—C35—H35A | 119.8 |
C9—C8—H8A | 118.3 | C31—C36—C35 | 120.0 (9) |
C10—C9—C8 | 117.2 (11) | C31—C36—H36A | 120.0 |
C10—C9—H9A | 121.4 | C35—C36—H36A | 120.0 |
C8—C9—H9A | 121.4 | N1—C37—S2 | 120.9 (7) |
C11—C10—C9 | 121.6 (11) | N1—C37—S1 | 119.8 (8) |
C11—C10—H10A | 119.2 | S2—C37—S1 | 119.4 (6) |
C9—C10—H10A | 119.2 | N1—C38—C39 | 110.4 (10) |
C12—C11—C10 | 118.8 (10) | N1—C38—H38A | 109.6 |
C12—C11—H11A | 120.6 | C39—C38—H38A | 109.6 |
C10—C11—H11A | 120.6 | N1—C38—H38B | 109.6 |
C11—C12—C7 | 121.9 (10) | C39—C38—H38B | 109.6 |
C11—C12—H12A | 119.0 | H38A—C38—H38B | 108.1 |
C7—C12—H12A | 119.0 | C40—C39—C38 | 112.6 (10) |
C14—C13—C18 | 119.0 (8) | C40—C39—H39A | 109.1 |
C14—C13—P1 | 118.4 (7) | C38—C39—H39A | 109.1 |
C18—C13—P1 | 122.5 (8) | C40—C39—H39B | 109.1 |
C15—C14—C13 | 121.8 (10) | C38—C39—H39B | 109.1 |
C15—C14—H14A | 119.1 | H39A—C39—H39B | 107.8 |
C13—C14—H14A | 119.1 | C39—C40—C41 | 110.9 (10) |
C14—C15—C16 | 119.0 (11) | C39—C40—H40A | 109.5 |
C14—C15—H15A | 120.5 | C41—C40—H40A | 109.5 |
C16—C15—H15A | 120.5 | C39—C40—H40B | 109.5 |
C17—C16—C15 | 119.5 (10) | C41—C40—H40B | 109.5 |
C17—C16—H16A | 120.3 | H40A—C40—H40B | 108.1 |
C15—C16—H16A | 120.3 | C42—C41—C40 | 112.2 (10) |
C16—C17—C18 | 121.5 (10) | C42—C41—H41A | 109.2 |
C16—C17—H17A | 119.3 | C40—C41—H41A | 109.2 |
C18—C17—H17A | 119.3 | C42—C41—H41B | 109.2 |
C17—C18—C13 | 119.1 (10) | C40—C41—H41B | 109.2 |
C17—C18—H18A | 120.5 | H41A—C41—H41B | 107.9 |
C13—C18—H18A | 120.5 | N1—C42—C41 | 110.1 (9) |
C24—C19—C20 | 118.7 (9) | N1—C42—H42A | 109.6 |
C24—C19—P2 | 118.8 (8) | C41—C42—H42A | 109.6 |
C20—C19—P2 | 122.5 (8) | N1—C42—H42B | 109.6 |
C21—C20—C19 | 119.5 (11) | C41—C42—H42B | 109.6 |
C21—C20—H20A | 120.2 | H42A—C42—H42B | 108.2 |
P1—Au1—S1—C37 | 107.8 (3) | C15—C16—C17—C18 | −2.1 (17) |
P2—Au1—S1—C37 | −113.2 (3) | C16—C17—C18—C13 | −0.6 (16) |
S2—Au1—S1—C37 | 1.3 (3) | C14—C13—C18—C17 | 0.6 (15) |
P1—Au1—S2—C37 | −103.0 (3) | P1—C13—C18—C17 | −177.0 (8) |
P2—Au1—S2—C37 | 86.8 (3) | C31—P2—C19—C24 | −155.0 (8) |
S1—Au1—S2—C37 | −1.4 (3) | C25—P2—C19—C24 | 96.5 (9) |
P2—Au1—P1—C1 | 172.4 (4) | Au1—P2—C19—C24 | −26.3 (9) |
S2—Au1—P1—C1 | 4.1 (4) | C31—P2—C19—C20 | 23.4 (9) |
S1—Au1—P1—C1 | −66.7 (4) | C25—P2—C19—C20 | −85.1 (9) |
P2—Au1—P1—C7 | 50.5 (3) | Au1—P2—C19—C20 | 152.1 (7) |
S2—Au1—P1—C7 | −117.8 (3) | C24—C19—C20—C21 | −3.3 (15) |
S1—Au1—P1—C7 | 171.3 (3) | P2—C19—C20—C21 | 178.4 (8) |
P2—Au1—P1—C13 | −67.2 (3) | C19—C20—C21—C22 | 0.6 (17) |
S2—Au1—P1—C13 | 124.5 (3) | C20—C21—C22—C23 | 0.8 (19) |
S1—Au1—P1—C13 | 53.7 (3) | C21—C22—C23—C24 | 0 (2) |
P1—Au1—P2—C31 | −50.3 (3) | C22—C23—C24—C19 | −3.4 (19) |
S2—Au1—P2—C31 | 117.6 (3) | C20—C19—C24—C23 | 4.8 (17) |
S1—Au1—P2—C31 | −175.1 (3) | P2—C19—C24—C23 | −176.8 (10) |
P1—Au1—P2—C25 | 64.7 (3) | C31—P2—C25—C26 | −80.4 (9) |
S2—Au1—P2—C25 | −127.4 (3) | C19—P2—C25—C26 | 29.6 (9) |
S1—Au1—P2—C25 | −60.1 (3) | Au1—P2—C25—C26 | 157.9 (8) |
P1—Au1—P2—C19 | −175.0 (3) | C31—P2—C25—C30 | 93.5 (8) |
S2—Au1—P2—C19 | −7.0 (4) | C19—P2—C25—C30 | −156.5 (8) |
S1—Au1—P2—C19 | 60.2 (4) | Au1—P2—C25—C30 | −28.2 (9) |
C7—P1—C1—C2 | 86.4 (9) | C30—C25—C26—C27 | 2.2 (16) |
C13—P1—C1—C2 | −164.3 (8) | P2—C25—C26—C27 | 176.0 (8) |
Au1—P1—C1—C2 | −41.1 (10) | C25—C26—C27—C28 | −2.1 (17) |
C7—P1—C1—C6 | −89.2 (9) | C26—C27—C28—C29 | 0.5 (18) |
C13—P1—C1—C6 | 20.0 (9) | C27—C28—C29—C30 | 1.0 (18) |
Au1—P1—C1—C6 | 143.3 (7) | C28—C29—C30—C25 | −1.0 (18) |
C6—C1—C2—C3 | 3.6 (15) | C26—C25—C30—C29 | −0.6 (16) |
P1—C1—C2—C3 | −172.3 (8) | P2—C25—C30—C29 | −174.7 (9) |
C1—C2—C3—C4 | −2.4 (17) | C25—P2—C31—C36 | −15.5 (9) |
C2—C3—C4—C5 | −1.1 (17) | C19—P2—C31—C36 | −125.2 (8) |
C3—C4—C5—C6 | 3.4 (17) | Au1—P2—C31—C36 | 103.3 (8) |
C4—C5—C6—C1 | −2.1 (16) | C25—P2—C31—C32 | 170.4 (8) |
C2—C1—C6—C5 | −1.3 (15) | C19—P2—C31—C32 | 60.7 (8) |
P1—C1—C6—C5 | 174.5 (8) | Au1—P2—C31—C32 | −70.8 (8) |
C1—P1—C7—C8 | 10.2 (9) | C36—C31—C32—C33 | −0.3 (14) |
C13—P1—C7—C8 | −97.8 (9) | P2—C31—C32—C33 | 174.1 (8) |
Au1—P1—C7—C8 | 142.1 (7) | C31—C32—C33—C34 | −0.6 (17) |
C1—P1—C7—C12 | −168.4 (7) | C32—C33—C34—C35 | 0.5 (18) |
C13—P1—C7—C12 | 83.6 (8) | C33—C34—C35—C36 | 0.6 (17) |
Au1—P1—C7—C12 | −36.5 (8) | C32—C31—C36—C35 | 1.4 (14) |
C12—C7—C8—C9 | 1.5 (15) | P2—C31—C36—C35 | −172.9 (7) |
P1—C7—C8—C9 | −177.1 (8) | C34—C35—C36—C31 | −1.6 (15) |
C7—C8—C9—C10 | −2.8 (16) | C38—N1—C37—S2 | 0.6 (13) |
C8—C9—C10—C11 | 1.1 (17) | C42—N1—C37—S2 | 172.7 (8) |
C9—C10—C11—C12 | 1.7 (17) | C38—N1—C37—S1 | −178.5 (8) |
C10—C11—C12—C7 | −3.1 (16) | C42—N1—C37—S1 | −6.5 (13) |
C8—C7—C12—C11 | 1.5 (14) | Au1—S2—C37—N1 | −176.9 (8) |
P1—C7—C12—C11 | −179.8 (8) | Au1—S2—C37—S1 | 2.3 (6) |
C1—P1—C13—C14 | 78.2 (9) | Au1—S1—C37—N1 | 177.1 (8) |
C7—P1—C13—C14 | −175.0 (8) | Au1—S1—C37—S2 | −2.1 (5) |
Au1—P1—C13—C14 | −52.1 (8) | C37—N1—C38—C39 | 115.9 (11) |
C1—P1—C13—C18 | −104.1 (8) | C42—N1—C38—C39 | −56.9 (12) |
C7—P1—C13—C18 | 2.7 (9) | N1—C38—C39—C40 | 51.7 (13) |
Au1—P1—C13—C18 | 125.6 (7) | C38—C39—C40—C41 | −49.5 (14) |
C18—C13—C14—C15 | 2.2 (15) | C39—C40—C41—C42 | 51.8 (13) |
P1—C13—C14—C15 | 180.0 (8) | C37—N1—C42—C41 | −113.3 (11) |
C13—C14—C15—C16 | −5.0 (16) | C38—N1—C42—C41 | 59.3 (13) |
C14—C15—C16—C17 | 4.9 (16) | C40—C41—C42—N1 | −55.6 (13) |
D—H···A | D—H | H···A | D···A | D—H···A |
C4—H4A···Cg1i | 0.93 | 2.91 | 3.743 | 150 |
C24—H24A···Cg2 | 0.93 | 2.60 | 3.468 | 155 |
C41—H41A···Cg3ii | 0.97 | 2.78 | 3.668 | 152 |
Symmetry codes: (i) x, y+1, z; (ii) −x, −y+1, −z. |