| Literature DB >> 21580519 |
Primjira P Tadbuppa, Edward R T Tiekink.
Abstract
The <spanEntities:
Year: 2010 PMID: 21580519 PMCID: PMC2983763 DOI: 10.1107/S160053681000975X
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Au(C11H14NOS)(C18H33P)] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 993 reflections |
| θ = 2.4–26.7° | |
| µ = 5.00 mm−1 | |
| β = 100.308 (3)° | Block, colourless |
| 0.37 × 0.10 × 0.10 mm | |
| Bruker SMART CCD diffractometer | 6943 independent reflections |
| Radiation source: fine-focus sealed tube | 5710 reflections with |
| graphite | |
| ω scans | θmax = 27.5°, θmin = 1.5° |
| Absorption correction: multi-scan ( | |
| 20885 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 6943 reflections | (Δ/σ)max = 0.001 |
| 308 parameters | Δρmax = 1.60 e Å−3 |
| 0 restraints | Δρmin = −0.40 e Å−3 |
| Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
| Refinement. Refinement of |
| Au | 0.009245 (9) | 0.077062 (9) | 0.342984 (7) | 0.03840 (5) | |
| S1 | 0.16091 (6) | 0.15458 (6) | 0.37674 (6) | 0.0453 (2) | |
| P1 | −0.13794 (6) | −0.00461 (6) | 0.32160 (5) | 0.03605 (18) | |
| O1 | 0.19821 (19) | 0.00020 (18) | 0.29116 (16) | 0.0534 (6) | |
| N1 | 0.3294 (2) | 0.1077 (2) | 0.3217 (2) | 0.0532 (8) | |
| C1 | 0.2414 (3) | 0.0848 (2) | 0.3270 (2) | 0.0460 (8) | |
| C2 | 0.3764 (2) | 0.1942 (3) | 0.3601 (3) | 0.0531 (9) | |
| C3 | 0.3875 (3) | 0.2088 (3) | 0.4421 (3) | 0.0581 (10) | |
| H3 | 0.3594 | 0.1628 | 0.4738 | 0.070* | |
| C4 | 0.4409 (3) | 0.2924 (4) | 0.4799 (3) | 0.0660 (11) | |
| C5 | 0.4820 (3) | 0.3578 (3) | 0.4314 (4) | 0.0733 (13) | |
| H5 | 0.5176 | 0.4137 | 0.4549 | 0.088* | |
| C6 | 0.4720 (3) | 0.3428 (4) | 0.3502 (3) | 0.0733 (13) | |
| H6 | 0.5005 | 0.3883 | 0.3184 | 0.088* | |
| C7 | 0.4203 (3) | 0.2612 (3) | 0.3142 (3) | 0.0640 (11) | |
| H7 | 0.4148 | 0.2509 | 0.2582 | 0.077* | |
| C8 | 0.4511 (4) | 0.3060 (5) | 0.5685 (3) | 0.0981 (17) | |
| H8A | 0.5165 | 0.3317 | 0.5901 | 0.147* | |
| H8B | 0.4418 | 0.2422 | 0.5937 | 0.147* | |
| H8C | 0.4016 | 0.3531 | 0.5798 | 0.147* | |
| C9 | 0.2533 (3) | −0.0593 (3) | 0.2416 (3) | 0.0610 (11) | |
| H9 | 0.2894 | −0.0142 | 0.2102 | 0.073* | |
| C10 | 0.1759 (4) | −0.1171 (4) | 0.1845 (3) | 0.0847 (15) | |
| H10A | 0.1317 | −0.0706 | 0.1515 | 0.127* | |
| H10B | 0.1384 | −0.1587 | 0.2155 | 0.127* | |
| H10C | 0.2080 | −0.1592 | 0.1498 | 0.127* | |
| C11 | 0.3256 (4) | −0.1286 (4) | 0.2928 (3) | 0.0811 (14) | |
| H11A | 0.3755 | −0.0893 | 0.3275 | 0.122* | |
| H11B | 0.3572 | −0.1708 | 0.2579 | 0.122* | |
| H11C | 0.2907 | −0.1701 | 0.3258 | 0.122* | |
| C12 | −0.2309 (3) | 0.0592 (2) | 0.3696 (2) | 0.0421 (8) | |
| H12 | −0.2484 | 0.1216 | 0.3384 | 0.050* | |
| C13 | −0.1880 (3) | 0.0913 (3) | 0.4560 (2) | 0.0511 (9) | |
| H13A | −0.1282 | 0.1312 | 0.4558 | 0.061* | |
| H13B | −0.1692 | 0.0316 | 0.4892 | 0.061* | |
| C14 | −0.2617 (3) | 0.1526 (3) | 0.4934 (3) | 0.0649 (11) | |
| H14A | −0.2330 | 0.1686 | 0.5497 | 0.078* | |
| H14B | −0.2752 | 0.2158 | 0.4638 | 0.078* | |
| C15 | −0.3573 (3) | 0.0959 (4) | 0.4909 (3) | 0.0715 (13) | |
| H15A | −0.4048 | 0.1384 | 0.5121 | 0.086* | |
| H15B | −0.3449 | 0.0365 | 0.5256 | 0.086* | |
| C16 | −0.4009 (3) | 0.0637 (4) | 0.4053 (3) | 0.0778 (14) | |
| H16A | −0.4200 | 0.1232 | 0.3719 | 0.093* | |
| H16B | −0.4606 | 0.0238 | 0.4060 | 0.093* | |
| C17 | −0.3273 (2) | 0.0023 (3) | 0.3681 (3) | 0.0568 (10) | |
| H17A | −0.3135 | −0.0606 | 0.3982 | 0.068* | |
| H17B | −0.3563 | −0.0144 | 0.3120 | 0.068* | |
| C18 | −0.1932 (2) | −0.0195 (2) | 0.21456 (19) | 0.0404 (7) | |
| H18 | −0.2501 | −0.0659 | 0.2110 | 0.048* | |
| C19 | −0.2310 (3) | 0.0793 (3) | 0.1754 (2) | 0.0519 (9) | |
| H19A | −0.1764 | 0.1275 | 0.1809 | 0.062* | |
| H19B | −0.2817 | 0.1067 | 0.2036 | 0.062* | |
| C20 | −0.2749 (4) | 0.0657 (3) | 0.0859 (3) | 0.0641 (12) | |
| H20A | −0.3348 | 0.0247 | 0.0810 | 0.077* | |
| H20B | −0.2940 | 0.1314 | 0.0620 | 0.077* | |
| C21 | −0.2044 (3) | 0.0170 (3) | 0.0393 (2) | 0.0670 (12) | |
| H21A | −0.1498 | 0.0631 | 0.0360 | 0.080* | |
| H21B | −0.2387 | 0.0032 | −0.0160 | 0.080* | |
| C22 | −0.1630 (4) | −0.0807 (3) | 0.0790 (2) | 0.0602 (11) | |
| H22A | −0.1121 | −0.1066 | 0.0503 | 0.072* | |
| H22B | −0.2161 | −0.1305 | 0.0742 | 0.072* | |
| C23 | −0.1184 (3) | −0.0660 (3) | 0.1681 (2) | 0.0485 (9) | |
| H23A | −0.0966 | −0.1308 | 0.1922 | 0.058* | |
| H23B | −0.0603 | −0.0223 | 0.1726 | 0.058* | |
| C24 | −0.1207 (2) | −0.1309 (2) | 0.36852 (19) | 0.0373 (7) | |
| H24 | −0.1315 | −0.1229 | 0.4249 | 0.045* | |
| C25 | −0.1948 (2) | −0.2105 (2) | 0.3298 (2) | 0.0412 (7) | |
| H25A | −0.1854 | −0.2234 | 0.2742 | 0.049* | |
| H25B | −0.2624 | −0.1860 | 0.3278 | 0.049* | |
| C26 | −0.1799 (3) | −0.3075 (3) | 0.3788 (2) | 0.0490 (8) | |
| H26A | −0.1947 | −0.2955 | 0.4330 | 0.059* | |
| H26B | −0.2260 | −0.3585 | 0.3524 | 0.059* | |
| C27 | −0.0745 (3) | −0.3458 (3) | 0.3862 (2) | 0.0537 (9) | |
| H27A | −0.0660 | −0.4060 | 0.4201 | 0.064* | |
| H27B | −0.0616 | −0.3640 | 0.3324 | 0.064* | |
| C28 | −0.0008 (3) | −0.2657 (3) | 0.4234 (2) | 0.0558 (10) | |
| H28A | 0.0668 | −0.2903 | 0.4253 | 0.067* | |
| H28B | −0.0096 | −0.2522 | 0.4791 | 0.067* | |
| C29 | −0.0154 (2) | −0.1691 (3) | 0.3743 (2) | 0.0477 (8) | |
| H29A | 0.0312 | −0.1183 | 0.4002 | 0.057* | |
| H29B | −0.0018 | −0.1814 | 0.3198 | 0.057* |
| Au | 0.04093 (8) | 0.03425 (8) | 0.03913 (8) | −0.00328 (5) | 0.00472 (5) | −0.00191 (5) |
| S1 | 0.0431 (4) | 0.0385 (5) | 0.0546 (5) | −0.0042 (4) | 0.0096 (4) | −0.0074 (4) |
| P1 | 0.0378 (4) | 0.0335 (4) | 0.0355 (4) | 0.0002 (3) | 0.0028 (3) | −0.0008 (3) |
| O1 | 0.0592 (15) | 0.0424 (14) | 0.0606 (16) | −0.0018 (12) | 0.0163 (12) | −0.0119 (12) |
| N1 | 0.0439 (17) | 0.0524 (18) | 0.064 (2) | 0.0025 (15) | 0.0108 (15) | 0.0019 (15) |
| C1 | 0.050 (2) | 0.039 (2) | 0.047 (2) | 0.0068 (15) | 0.0062 (16) | 0.0050 (14) |
| C2 | 0.0348 (17) | 0.051 (2) | 0.072 (3) | 0.0081 (16) | 0.0043 (17) | 0.0029 (19) |
| C3 | 0.043 (2) | 0.054 (2) | 0.076 (3) | 0.0027 (17) | 0.0061 (19) | 0.000 (2) |
| C4 | 0.043 (2) | 0.071 (3) | 0.079 (3) | 0.006 (2) | 0.001 (2) | −0.007 (2) |
| C5 | 0.048 (2) | 0.054 (3) | 0.113 (4) | 0.0004 (19) | 0.002 (3) | 0.002 (3) |
| C6 | 0.050 (2) | 0.065 (3) | 0.101 (4) | −0.002 (2) | 0.004 (2) | 0.020 (3) |
| C7 | 0.040 (2) | 0.066 (3) | 0.084 (3) | 0.0013 (19) | 0.0061 (19) | 0.016 (2) |
| C8 | 0.080 (3) | 0.115 (5) | 0.098 (4) | −0.010 (3) | 0.013 (3) | −0.025 (3) |
| C9 | 0.075 (3) | 0.046 (2) | 0.066 (3) | 0.010 (2) | 0.025 (2) | −0.0031 (18) |
| C10 | 0.114 (4) | 0.063 (3) | 0.079 (3) | 0.008 (3) | 0.022 (3) | −0.022 (3) |
| C11 | 0.100 (4) | 0.068 (3) | 0.079 (3) | 0.022 (3) | 0.026 (3) | 0.001 (2) |
| C12 | 0.0438 (19) | 0.0367 (19) | 0.0438 (19) | 0.0081 (14) | 0.0025 (15) | −0.0008 (14) |
| C13 | 0.054 (2) | 0.052 (2) | 0.048 (2) | 0.0014 (17) | 0.0096 (17) | −0.0102 (16) |
| C14 | 0.077 (3) | 0.060 (3) | 0.062 (3) | 0.011 (2) | 0.023 (2) | −0.010 (2) |
| C15 | 0.064 (3) | 0.079 (3) | 0.077 (3) | 0.023 (2) | 0.026 (2) | −0.006 (2) |
| C16 | 0.046 (2) | 0.101 (4) | 0.089 (4) | 0.017 (2) | 0.017 (2) | −0.005 (3) |
| C17 | 0.0386 (19) | 0.067 (3) | 0.063 (2) | 0.0069 (18) | 0.0053 (17) | −0.008 (2) |
| C18 | 0.0428 (17) | 0.0397 (19) | 0.0358 (17) | −0.0096 (14) | −0.0004 (13) | 0.0027 (13) |
| C19 | 0.060 (2) | 0.045 (2) | 0.047 (2) | −0.0031 (17) | 0.0004 (17) | 0.0100 (15) |
| C20 | 0.077 (3) | 0.055 (3) | 0.051 (2) | −0.015 (2) | −0.014 (2) | 0.0186 (18) |
| C21 | 0.096 (3) | 0.061 (3) | 0.039 (2) | −0.030 (2) | −0.001 (2) | 0.0029 (18) |
| C22 | 0.092 (3) | 0.052 (2) | 0.035 (2) | −0.016 (2) | 0.008 (2) | −0.0033 (16) |
| C23 | 0.061 (2) | 0.046 (2) | 0.0375 (19) | −0.0088 (17) | 0.0063 (16) | −0.0052 (14) |
| C24 | 0.0418 (17) | 0.0330 (17) | 0.0365 (17) | −0.0006 (14) | 0.0049 (13) | 0.0002 (13) |
| C25 | 0.0474 (18) | 0.0379 (19) | 0.0371 (17) | −0.0019 (15) | 0.0046 (14) | 0.0002 (13) |
| C26 | 0.063 (2) | 0.0391 (19) | 0.045 (2) | −0.0057 (17) | 0.0084 (17) | 0.0003 (15) |
| C27 | 0.077 (3) | 0.0328 (19) | 0.052 (2) | 0.0086 (18) | 0.0120 (19) | 0.0050 (15) |
| C28 | 0.058 (2) | 0.044 (2) | 0.063 (2) | 0.0100 (18) | 0.0037 (19) | 0.0075 (18) |
| C29 | 0.0426 (18) | 0.041 (2) | 0.058 (2) | 0.0021 (15) | 0.0032 (16) | 0.0055 (16) |
| Au—P1 | 2.2692 (9) | C15—C16 | 1.517 (7) |
| Au—S1 | 2.3051 (9) | C15—H15A | 0.9800 |
| S1—C1 | 1.766 (4) | C15—H15B | 0.9800 |
| P1—C12 | 1.837 (4) | C16—C17 | 1.521 (5) |
| P1—C18 | 1.832 (3) | C16—H16A | 0.9800 |
| P1—C24 | 1.858 (3) | C16—H16B | 0.9800 |
| O1—C1 | 1.365 (4) | C17—H17A | 0.9800 |
| O1—C9 | 1.456 (5) | C17—H17B | 0.9800 |
| N1—C1 | 1.266 (5) | C18—C19 | 1.524 (5) |
| N1—C2 | 1.420 (5) | C18—C23 | 1.529 (5) |
| C2—C3 | 1.372 (6) | C18—H18 | 0.9900 |
| C2—C7 | 1.387 (6) | C19—C20 | 1.527 (5) |
| C3—C4 | 1.421 (6) | C19—H19A | 0.9800 |
| C3—H3 | 0.9400 | C19—H19B | 0.9800 |
| C4—C5 | 1.383 (6) | C20—C21 | 1.498 (7) |
| C4—C8 | 1.480 (7) | C20—H20A | 0.9800 |
| C5—C6 | 1.359 (7) | C20—H20B | 0.9800 |
| C5—H5 | 0.9400 | C21—C22 | 1.529 (6) |
| C6—C7 | 1.379 (6) | C21—H21A | 0.9800 |
| C6—H6 | 0.9400 | C21—H21B | 0.9800 |
| C7—H7 | 0.9400 | C22—C23 | 1.525 (5) |
| C8—H8A | 0.9700 | C22—H22A | 0.9800 |
| C8—H8B | 0.9700 | C22—H22B | 0.9800 |
| C8—H8C | 0.9700 | C23—H23A | 0.9800 |
| C9—C11 | 1.509 (6) | C23—H23B | 0.9800 |
| C9—C10 | 1.511 (7) | C24—C29 | 1.522 (4) |
| C9—H9 | 0.9900 | C24—C25 | 1.534 (4) |
| C10—H10A | 0.9700 | C24—H24 | 0.9900 |
| C10—H10B | 0.9700 | C25—C26 | 1.529 (5) |
| C10—H10C | 0.9700 | C25—H25A | 0.9800 |
| C11—H11A | 0.9700 | C25—H25B | 0.9800 |
| C11—H11B | 0.9700 | C26—C27 | 1.521 (5) |
| C11—H11C | 0.9700 | C26—H26A | 0.9800 |
| C12—C17 | 1.524 (5) | C26—H26B | 0.9800 |
| C12—C13 | 1.527 (5) | C27—C28 | 1.528 (5) |
| C12—H12 | 0.9900 | C27—H27A | 0.9800 |
| C13—C14 | 1.522 (5) | C27—H27B | 0.9800 |
| C13—H13A | 0.9800 | C28—C29 | 1.525 (5) |
| C13—H13B | 0.9800 | C28—H28A | 0.9800 |
| C14—C15 | 1.511 (6) | C28—H28B | 0.9800 |
| C14—H14A | 0.9800 | C29—H29A | 0.9800 |
| C14—H14B | 0.9800 | C29—H29B | 0.9800 |
| P1—Au—S1 | 174.73 (3) | C15—C16—H16B | 109.4 |
| C1—S1—Au | 105.20 (13) | C17—C16—H16B | 109.4 |
| C12—P1—C18 | 106.37 (16) | H16A—C16—H16B | 108.0 |
| C12—P1—C24 | 106.32 (16) | C12—C17—C16 | 111.4 (3) |
| C18—P1—C24 | 108.42 (15) | C12—C17—H17A | 109.4 |
| C12—P1—Au | 112.19 (12) | C16—C17—H17A | 109.4 |
| C18—P1—Au | 114.12 (11) | C12—C17—H17B | 109.4 |
| C24—P1—Au | 109.07 (10) | C16—C17—H17B | 109.4 |
| C1—O1—C9 | 118.3 (3) | H17A—C17—H17B | 108.0 |
| C1—N1—C2 | 121.8 (3) | C19—C18—C23 | 109.9 (3) |
| N1—C1—O1 | 121.0 (3) | C19—C18—P1 | 112.2 (2) |
| N1—C1—S1 | 126.4 (3) | C23—C18—P1 | 110.2 (2) |
| O1—C1—S1 | 112.7 (3) | C19—C18—H18 | 108.1 |
| C3—C2—N1 | 122.1 (4) | C23—C18—H18 | 108.1 |
| C3—C2—C7 | 119.0 (4) | P1—C18—H18 | 108.1 |
| N1—C2—C7 | 118.7 (4) | C18—C19—C20 | 111.4 (3) |
| C2—C3—C4 | 121.1 (4) | C18—C19—H19A | 109.3 |
| C2—C3—H3 | 119.5 | C20—C19—H19A | 109.3 |
| C4—C3—H3 | 119.5 | C18—C19—H19B | 109.3 |
| C5—C4—C3 | 117.7 (5) | C20—C19—H19B | 109.3 |
| C5—C4—C8 | 122.7 (5) | H19A—C19—H19B | 108.0 |
| C3—C4—C8 | 119.6 (5) | C21—C20—C19 | 112.8 (4) |
| C6—C5—C4 | 121.3 (5) | C21—C20—H20A | 109.0 |
| C6—C5—H5 | 119.4 | C19—C20—H20A | 109.0 |
| C4—C5—H5 | 119.4 | C21—C20—H20B | 109.0 |
| C5—C6—C7 | 120.5 (5) | C19—C20—H20B | 109.0 |
| C5—C6—H6 | 119.7 | H20A—C20—H20B | 107.8 |
| C7—C6—H6 | 119.7 | C20—C21—C22 | 111.6 (3) |
| C6—C7—C2 | 120.5 (5) | C20—C21—H21A | 109.3 |
| C6—C7—H7 | 119.8 | C22—C21—H21A | 109.3 |
| C2—C7—H7 | 119.8 | C20—C21—H21B | 109.3 |
| C4—C8—H8A | 109.5 | C22—C21—H21B | 109.3 |
| C4—C8—H8B | 109.5 | H21A—C21—H21B | 108.0 |
| H8A—C8—H8B | 109.5 | C21—C22—C23 | 111.8 (3) |
| C4—C8—H8C | 109.5 | C21—C22—H22A | 109.3 |
| H8A—C8—H8C | 109.5 | C23—C22—H22A | 109.3 |
| H8B—C8—H8C | 109.5 | C21—C22—H22B | 109.3 |
| O1—C9—C11 | 111.5 (4) | C23—C22—H22B | 109.3 |
| O1—C9—C10 | 105.2 (4) | H22A—C22—H22B | 107.9 |
| C11—C9—C10 | 111.4 (4) | C18—C23—C22 | 111.4 (3) |
| O1—C9—H9 | 109.5 | C18—C23—H23A | 109.4 |
| C11—C9—H9 | 109.5 | C22—C23—H23A | 109.4 |
| C10—C9—H9 | 109.5 | C18—C23—H23B | 109.4 |
| C9—C10—H10A | 109.5 | C22—C23—H23B | 109.4 |
| C9—C10—H10B | 109.5 | H23A—C23—H23B | 108.0 |
| H10A—C10—H10B | 109.5 | C29—C24—C25 | 110.2 (3) |
| C9—C10—H10C | 109.5 | C29—C24—P1 | 112.3 (2) |
| H10A—C10—H10C | 109.5 | C25—C24—P1 | 115.1 (2) |
| H10B—C10—H10C | 109.5 | C29—C24—H24 | 106.2 |
| C9—C11—H11A | 109.5 | C25—C24—H24 | 106.2 |
| C9—C11—H11B | 109.5 | P1—C24—H24 | 106.2 |
| H11A—C11—H11B | 109.5 | C24—C25—C26 | 110.1 (3) |
| C9—C11—H11C | 109.5 | C24—C25—H25A | 109.6 |
| H11A—C11—H11C | 109.5 | C26—C25—H25A | 109.6 |
| H11B—C11—H11C | 109.5 | C24—C25—H25B | 109.6 |
| C17—C12—C13 | 110.0 (3) | C26—C25—H25B | 109.6 |
| C17—C12—P1 | 115.6 (2) | H25A—C25—H25B | 108.1 |
| C13—C12—P1 | 111.5 (2) | C27—C26—C25 | 111.3 (3) |
| C17—C12—H12 | 106.4 | C27—C26—H26A | 109.4 |
| C13—C12—H12 | 106.4 | C25—C26—H26A | 109.4 |
| P1—C12—H12 | 106.4 | C27—C26—H26B | 109.4 |
| C12—C13—C14 | 111.8 (3) | C25—C26—H26B | 109.4 |
| C12—C13—H13A | 109.3 | H26A—C26—H26B | 108.0 |
| C14—C13—H13A | 109.3 | C28—C27—C26 | 110.5 (3) |
| C12—C13—H13B | 109.3 | C28—C27—H27A | 109.6 |
| C14—C13—H13B | 109.3 | C26—C27—H27A | 109.6 |
| H13A—C13—H13B | 107.9 | C28—C27—H27B | 109.6 |
| C15—C14—C13 | 111.0 (3) | C26—C27—H27B | 109.6 |
| C15—C14—H14A | 109.4 | H27A—C27—H27B | 108.1 |
| C13—C14—H14A | 109.4 | C27—C28—C29 | 110.9 (3) |
| C15—C14—H14B | 109.4 | C27—C28—H28A | 109.5 |
| C13—C14—H14B | 109.4 | C29—C28—H28A | 109.5 |
| H14A—C14—H14B | 108.0 | C27—C28—H28B | 109.5 |
| C14—C15—C16 | 111.3 (4) | C29—C28—H28B | 109.5 |
| C14—C15—H15A | 109.4 | H28A—C28—H28B | 108.0 |
| C16—C15—H15A | 109.4 | C24—C29—C28 | 110.5 (3) |
| C14—C15—H15B | 109.4 | C24—C29—H29A | 109.6 |
| C16—C15—H15B | 109.4 | C28—C29—H29A | 109.6 |
| H15A—C15—H15B | 108.0 | C24—C29—H29B | 109.6 |
| C15—C16—C17 | 111.3 (4) | C28—C29—H29B | 109.6 |
| C15—C16—H16A | 109.4 | H29A—C29—H29B | 108.1 |
| C17—C16—H16A | 109.4 | ||
| P1—Au—S1—C1 | 107.5 (3) | C13—C14—C15—C16 | −55.5 (5) |
| S1—Au—P1—C12 | 74.2 (3) | C14—C15—C16—C17 | 55.8 (5) |
| S1—Au—P1—C18 | −164.8 (3) | C13—C12—C17—C16 | 55.6 (4) |
| S1—Au—P1—C24 | −43.3 (3) | P1—C12—C17—C16 | −177.1 (3) |
| C2—N1—C1—O1 | −178.5 (3) | C15—C16—C17—C12 | −56.1 (5) |
| C2—N1—C1—S1 | 2.8 (6) | C12—P1—C18—C19 | 53.4 (3) |
| C9—O1—C1—N1 | −4.5 (5) | C24—P1—C18—C19 | 167.4 (3) |
| C9—O1—C1—S1 | 174.3 (3) | Au—P1—C18—C19 | −70.8 (3) |
| Au—S1—C1—N1 | 171.7 (3) | C12—P1—C18—C23 | 176.2 (2) |
| Au—S1—C1—O1 | −7.1 (3) | C24—P1—C18—C23 | −69.8 (3) |
| C1—N1—C2—C3 | 58.2 (5) | Au—P1—C18—C23 | 52.0 (2) |
| C1—N1—C2—C7 | −127.9 (4) | C23—C18—C19—C20 | 55.8 (4) |
| N1—C2—C3—C4 | 175.5 (3) | P1—C18—C19—C20 | 178.8 (3) |
| C7—C2—C3—C4 | 1.6 (5) | C18—C19—C20—C21 | −54.8 (5) |
| C2—C3—C4—C5 | −0.6 (6) | C19—C20—C21—C22 | 52.5 (4) |
| C2—C3—C4—C8 | 179.7 (4) | C20—C21—C22—C23 | −52.9 (5) |
| C3—C4—C5—C6 | −0.1 (6) | C19—C18—C23—C22 | −56.7 (4) |
| C8—C4—C5—C6 | 179.5 (4) | P1—C18—C23—C22 | 179.2 (2) |
| C4—C5—C6—C7 | −0.1 (7) | C21—C22—C23—C18 | 55.4 (5) |
| C5—C6—C7—C2 | 1.1 (6) | C12—P1—C24—C29 | −147.5 (2) |
| C3—C2—C7—C6 | −1.8 (6) | C18—P1—C24—C29 | 98.5 (3) |
| N1—C2—C7—C6 | −175.9 (3) | Au—P1—C24—C29 | −26.4 (3) |
| C1—O1—C9—C11 | 82.5 (5) | C12—P1—C24—C25 | 85.2 (3) |
| C1—O1—C9—C10 | −156.6 (4) | C18—P1—C24—C25 | −28.8 (3) |
| C18—P1—C12—C17 | 62.6 (3) | Au—P1—C24—C25 | −153.6 (2) |
| C24—P1—C12—C17 | −52.8 (3) | C29—C24—C25—C26 | 57.6 (4) |
| Au—P1—C12—C17 | −172.0 (2) | P1—C24—C25—C26 | −174.1 (2) |
| C18—P1—C12—C13 | −170.8 (2) | C24—C25—C26—C27 | −57.0 (4) |
| C24—P1—C12—C13 | 73.8 (3) | C25—C26—C27—C28 | 56.3 (4) |
| Au—P1—C12—C13 | −45.4 (3) | C26—C27—C28—C29 | −56.4 (4) |
| C17—C12—C13—C14 | −55.7 (4) | C25—C24—C29—C28 | −58.0 (4) |
| P1—C12—C13—C14 | 174.7 (3) | P1—C24—C29—C28 | 172.1 (3) |
| C12—C13—C14—C15 | 55.9 (5) | C27—C28—C29—C24 | 57.5 (4) |
| H··· | ||||
| C16—H16a···Cgi | 0.98 | 2.98 | 3.655 (5) | 127 |
Selected bond lengths (Å)
| Au—P1 | 2.2692 (9) |
| Au—S1 | 2.3051 (9) |
Hydrogen-bond geometry (Å, °)
Cg is the centroid of the C2–C7 ring.
| H⋯ | ||||
|---|---|---|---|---|
| C16—H16a⋯ | 0.98 | 2.98 | 3.655 (5) | 127 |
Symmetry code: (i) .