| Literature DB >> 21578625 |
Primjira P Tadbuppa, Edward R T Tiekink.
Abstract
In the title compound, [Au(2)<span class="Chemical">Fe(C(11<class="Chemical">span class="Disease">)H(14)NOS)(2)(C(17)H(14)P)(2)], the Fe(II) atom is located on a crystallographic centre of inversion. For the Au(I) atom, the deviation from linearity defined by its S,P-donor set [S-Au-P = 178.17 (8) Å] is due to an intra-molecular Au⋯O contact [3.079 (4) Å]. In the crystal, supra-molecular chains mediated by C-H⋯N inter-actions are formed, which run parallel to [001].Entities:
Year: 2009 PMID: 21578625 PMCID: PMC2971759 DOI: 10.1107/S1600536809047898
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Au2Fe(C11H14NOS)2(C17H14P)2] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 2346 reflections | |
| θ = 2.7–30.0° | |
| µ = 5.97 mm−1 | |
| α = 107.440 (2)° | |
| β = 97.401 (2)° | Block, orange |
| γ = 106.366 (2)° | 0.21 × 0.07 × 0.04 mm |
| Bruker SMART CCD diffractometer | 4651 independent reflections |
| Radiation source: fine-focus sealed tube | 3790 reflections with |
| graphite | |
| ω scans | θmax = 25.0°, θmin = 1.6° |
| Absorption correction: multi-scan ( | |
| 7710 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 | |
| 4651 reflections | (Δ/σ)max < 0.001 |
| 305 parameters | Δρmax = 1.74 e Å−3 |
| 0 restraints | Δρmin = −0.93 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 | 0.13463 (4) | 0.49437 (2) | 0.20439 (2) | 0.03125 (11) | |
| Fe | 0.5000 | 0.5000 | 0.0000 | 0.0270 (3) | |
| S1 | 0.1355 (3) | 0.63009 (17) | 0.35458 (14) | 0.0434 (5) | |
| P1 | 0.1284 (2) | 0.35677 (14) | 0.05834 (13) | 0.0266 (4) | |
| O1 | 0.4456 (6) | 0.6118 (4) | 0.4008 (3) | 0.0351 (11) | |
| N1 | 0.3945 (9) | 0.7445 (5) | 0.5308 (5) | 0.0457 (17) | |
| C1 | 0.3418 (10) | 0.6707 (6) | 0.4401 (6) | 0.0382 (18) | |
| C2 | 0.2892 (11) | 0.8073 (7) | 0.5704 (6) | 0.046 (2) | |
| C3 | 0.2959 (12) | 0.8999 (7) | 0.5460 (7) | 0.057 (2) | |
| H3 | 0.3647 | 0.9185 | 0.4993 | 0.069* | |
| C4 | 0.2016 (12) | 0.9663 (7) | 0.5898 (7) | 0.059 (2) | |
| H4 | 0.2036 | 1.0270 | 0.5689 | 0.071* | |
| C5 | 0.1061 (12) | 0.9464 (8) | 0.6622 (6) | 0.056 (2) | |
| C6 | 0.1049 (13) | 0.8551 (9) | 0.6871 (6) | 0.062 (3) | |
| H6 | 0.0406 | 0.8381 | 0.7363 | 0.075* | |
| C7 | 0.1941 (12) | 0.7875 (8) | 0.6427 (7) | 0.056 (2) | |
| H7 | 0.1897 | 0.7259 | 0.6625 | 0.068* | |
| C8 | 0.0014 (15) | 1.0160 (9) | 0.7055 (8) | 0.087 (4) | |
| H8A | −0.1098 | 0.9924 | 0.6548 | 0.130* | |
| H8B | 0.0657 | 1.0926 | 0.7178 | 0.130* | |
| H8C | −0.0201 | 1.0084 | 0.7723 | 0.130* | |
| C9 | 0.6271 (10) | 0.6486 (7) | 0.4650 (6) | 0.046 (2) | |
| H9 | 0.6256 | 0.6677 | 0.5414 | 0.055* | |
| C10 | 0.6848 (11) | 0.5484 (7) | 0.4295 (6) | 0.047 (2) | |
| H10A | 0.6075 | 0.4880 | 0.4441 | 0.071* | |
| H10B | 0.8042 | 0.5666 | 0.4682 | 0.071* | |
| H10C | 0.6794 | 0.5267 | 0.3536 | 0.071* | |
| C11 | 0.7391 (11) | 0.7471 (7) | 0.4477 (7) | 0.060 (2) | |
| H11A | 0.6955 | 0.8079 | 0.4726 | 0.091* | |
| H11B | 0.7357 | 0.7298 | 0.3723 | 0.091* | |
| H11C | 0.8590 | 0.7680 | 0.4870 | 0.091* | |
| C12 | 0.2458 (8) | 0.4006 (5) | −0.0322 (5) | 0.0263 (15) | |
| C13 | 0.2562 (9) | 0.5014 (6) | −0.0501 (5) | 0.0329 (16) | |
| H13 | 0.2079 | 0.5535 | −0.0145 | 0.039* | |
| C14 | 0.3500 (10) | 0.5101 (7) | −0.1288 (6) | 0.044 (2) | |
| H14 | 0.3747 | 0.5680 | −0.1558 | 0.053* | |
| C15 | 0.4004 (10) | 0.4153 (7) | −0.1600 (5) | 0.045 (2) | |
| H15 | 0.4655 | 0.3996 | −0.2116 | 0.054* | |
| C16 | 0.3375 (9) | 0.3480 (6) | −0.1013 (5) | 0.0354 (17) | |
| H16 | 0.3534 | 0.2804 | −0.1070 | 0.043* | |
| C17 | −0.0903 (8) | 0.2718 (5) | −0.0236 (5) | 0.0267 (15) | |
| C18 | −0.2168 (10) | 0.2284 (6) | 0.0247 (6) | 0.0423 (19) | |
| H18 | −0.1893 | 0.2431 | 0.0985 | 0.051* | |
| C19 | −0.3841 (11) | 0.1631 (7) | −0.0356 (8) | 0.058 (2) | |
| H19 | −0.4695 | 0.1317 | −0.0030 | 0.070* | |
| C20 | −0.4260 (11) | 0.1439 (7) | −0.1435 (8) | 0.057 (2) | |
| H20 | −0.5399 | 0.0997 | −0.1843 | 0.068* | |
| C21 | −0.3025 (11) | 0.1890 (6) | −0.1906 (7) | 0.049 (2) | |
| H21 | −0.3323 | 0.1767 | −0.2638 | 0.059* | |
| C22 | −0.1347 (10) | 0.2522 (6) | −0.1327 (6) | 0.0384 (18) | |
| H22 | −0.0499 | 0.2822 | −0.1663 | 0.046* | |
| C23 | 0.2152 (8) | 0.2599 (5) | 0.0958 (5) | 0.0294 (15) | |
| C24 | 0.3196 (10) | 0.2918 (7) | 0.1944 (6) | 0.0423 (19) | |
| H24 | 0.3507 | 0.3648 | 0.2416 | 0.051* | |
| C25 | 0.3806 (12) | 0.2174 (8) | 0.2258 (7) | 0.059 (2) | |
| H25 | 0.4512 | 0.2398 | 0.2946 | 0.070* | |
| C26 | 0.3391 (12) | 0.1131 (8) | 0.1582 (7) | 0.056 (2) | |
| H26 | 0.3840 | 0.0639 | 0.1797 | 0.067* | |
| C27 | 0.2318 (10) | 0.0772 (6) | 0.0580 (7) | 0.048 (2) | |
| H27 | 0.2006 | 0.0036 | 0.0119 | 0.057* | |
| C28 | 0.1709 (9) | 0.1516 (6) | 0.0263 (6) | 0.0400 (18) | |
| H28 | 0.0993 | 0.1289 | −0.0422 | 0.048* |
| Au | 0.02798 (16) | 0.03521 (17) | 0.02566 (15) | 0.00940 (12) | 0.00453 (10) | 0.00587 (11) |
| Fe | 0.0229 (7) | 0.0322 (8) | 0.0227 (6) | 0.0055 (6) | 0.0028 (5) | 0.0098 (6) |
| S1 | 0.0352 (11) | 0.0527 (12) | 0.0320 (9) | 0.0184 (10) | 0.0026 (8) | −0.0004 (9) |
| P1 | 0.0224 (9) | 0.0272 (9) | 0.0276 (9) | 0.0064 (8) | 0.0042 (7) | 0.0086 (8) |
| O1 | 0.028 (3) | 0.042 (3) | 0.029 (2) | 0.014 (2) | 0.000 (2) | 0.005 (2) |
| N1 | 0.046 (4) | 0.048 (4) | 0.033 (3) | 0.020 (3) | −0.002 (3) | 0.003 (3) |
| C1 | 0.040 (4) | 0.035 (4) | 0.033 (4) | 0.003 (4) | 0.003 (3) | 0.015 (4) |
| C2 | 0.048 (5) | 0.054 (5) | 0.025 (4) | 0.019 (4) | 0.000 (4) | 0.003 (4) |
| C3 | 0.064 (6) | 0.051 (5) | 0.056 (5) | 0.016 (5) | 0.028 (5) | 0.016 (5) |
| C4 | 0.065 (6) | 0.040 (5) | 0.063 (6) | 0.016 (5) | 0.013 (5) | 0.008 (4) |
| C5 | 0.054 (6) | 0.068 (6) | 0.027 (4) | 0.018 (5) | −0.002 (4) | −0.005 (4) |
| C6 | 0.063 (6) | 0.092 (8) | 0.034 (4) | 0.027 (6) | 0.015 (4) | 0.023 (5) |
| C7 | 0.053 (5) | 0.075 (6) | 0.050 (5) | 0.032 (5) | 0.005 (4) | 0.028 (5) |
| C8 | 0.086 (8) | 0.099 (8) | 0.053 (6) | 0.048 (7) | 0.003 (6) | −0.015 (6) |
| C9 | 0.036 (4) | 0.058 (5) | 0.031 (4) | 0.008 (4) | −0.002 (3) | 0.011 (4) |
| C10 | 0.044 (5) | 0.070 (6) | 0.034 (4) | 0.027 (4) | 0.007 (4) | 0.021 (4) |
| C11 | 0.043 (5) | 0.051 (5) | 0.064 (6) | −0.001 (4) | −0.001 (4) | 0.009 (5) |
| C12 | 0.023 (3) | 0.025 (3) | 0.027 (3) | 0.006 (3) | 0.001 (3) | 0.007 (3) |
| C13 | 0.025 (4) | 0.037 (4) | 0.035 (4) | 0.010 (3) | −0.002 (3) | 0.016 (3) |
| C14 | 0.043 (5) | 0.055 (5) | 0.032 (4) | 0.007 (4) | −0.002 (4) | 0.023 (4) |
| C15 | 0.037 (4) | 0.064 (6) | 0.018 (3) | 0.002 (4) | 0.005 (3) | 0.007 (4) |
| C16 | 0.032 (4) | 0.037 (4) | 0.030 (4) | 0.009 (3) | 0.005 (3) | 0.006 (3) |
| C17 | 0.026 (4) | 0.016 (3) | 0.037 (4) | 0.007 (3) | 0.003 (3) | 0.009 (3) |
| C18 | 0.036 (4) | 0.044 (5) | 0.053 (5) | 0.014 (4) | 0.019 (4) | 0.022 (4) |
| C19 | 0.036 (5) | 0.044 (5) | 0.104 (8) | 0.011 (4) | 0.029 (5) | 0.035 (5) |
| C20 | 0.025 (4) | 0.042 (5) | 0.088 (7) | 0.006 (4) | −0.009 (5) | 0.016 (5) |
| C21 | 0.036 (5) | 0.045 (5) | 0.049 (5) | 0.009 (4) | −0.011 (4) | 0.006 (4) |
| C22 | 0.036 (4) | 0.038 (4) | 0.037 (4) | 0.012 (4) | 0.006 (3) | 0.009 (3) |
| C23 | 0.018 (3) | 0.028 (4) | 0.035 (4) | −0.002 (3) | 0.007 (3) | 0.011 (3) |
| C24 | 0.041 (5) | 0.054 (5) | 0.036 (4) | 0.021 (4) | 0.007 (3) | 0.019 (4) |
| C25 | 0.072 (6) | 0.087 (7) | 0.041 (5) | 0.051 (6) | 0.015 (4) | 0.032 (5) |
| C26 | 0.066 (6) | 0.070 (6) | 0.072 (6) | 0.045 (5) | 0.037 (5) | 0.052 (6) |
| C27 | 0.040 (5) | 0.031 (4) | 0.074 (6) | 0.004 (4) | 0.019 (4) | 0.026 (4) |
| C28 | 0.025 (4) | 0.037 (4) | 0.052 (5) | 0.004 (3) | 0.003 (3) | 0.017 (4) |
| Au—S1 | 2.2883 (19) | C10—H10A | 0.9700 |
| Au—P1 | 2.2520 (17) | C10—H10B | 0.9700 |
| Fe—C13i | 2.025 (6) | C10—H10C | 0.9700 |
| Fe—C13 | 2.025 (6) | C11—H11A | 0.9700 |
| Fe—C12 | 2.036 (6) | C11—H11B | 0.9700 |
| Fe—C12i | 2.036 (6) | C11—H11C | 0.9700 |
| Fe—C16 | 2.039 (7) | C12—C16 | 1.420 (9) |
| Fe—C16i | 2.039 (7) | C12—C13 | 1.433 (9) |
| Fe—C15 | 2.046 (7) | C13—C14 | 1.403 (10) |
| Fe—C15i | 2.046 (7) | C13—H13 | 0.9400 |
| Fe—C14i | 2.059 (7) | C14—C15 | 1.416 (11) |
| Fe—C14 | 2.059 (7) | C14—H14 | 0.9400 |
| S1—C1 | 1.753 (7) | C15—C16 | 1.411 (10) |
| P1—C12 | 1.784 (7) | C15—H15 | 0.9400 |
| P1—C23 | 1.814 (7) | C16—H16 | 0.9400 |
| P1—C17 | 1.818 (6) | C17—C18 | 1.377 (10) |
| O1—C1 | 1.370 (9) | C17—C22 | 1.396 (9) |
| O1—C9 | 1.479 (8) | C18—C19 | 1.382 (11) |
| N1—C1 | 1.253 (9) | C18—H18 | 0.9400 |
| N1—C2 | 1.415 (10) | C19—C20 | 1.381 (13) |
| C2—C7 | 1.365 (12) | C19—H19 | 0.9400 |
| C2—C3 | 1.373 (11) | C20—C21 | 1.358 (12) |
| C3—C4 | 1.390 (12) | C20—H20 | 0.9400 |
| C3—H3 | 0.9400 | C21—C22 | 1.371 (10) |
| C4—C5 | 1.369 (12) | C21—H21 | 0.9400 |
| C4—H4 | 0.9400 | C22—H22 | 0.9400 |
| C5—C6 | 1.369 (13) | C23—C24 | 1.358 (9) |
| C5—C8 | 1.485 (12) | C23—C28 | 1.393 (10) |
| C6—C7 | 1.372 (12) | C24—C25 | 1.386 (10) |
| C6—H6 | 0.9400 | C24—H24 | 0.9400 |
| C7—H7 | 0.9400 | C25—C26 | 1.346 (12) |
| C8—H8A | 0.9700 | C25—H25 | 0.9400 |
| C8—H8B | 0.9700 | C26—C27 | 1.378 (12) |
| C8—H8C | 0.9700 | C26—H26 | 0.9400 |
| C9—C11 | 1.488 (11) | C27—C28 | 1.387 (10) |
| C9—C10 | 1.519 (10) | C27—H27 | 0.9400 |
| C9—H9 | 0.9900 | C28—H28 | 0.9400 |
| P1—Au—S1 | 178.17 (8) | O1—C9—C10 | 104.7 (6) |
| C13i—Fe—C13 | 180.0 | C11—C9—C10 | 113.9 (7) |
| C13i—Fe—C12 | 138.7 (3) | O1—C9—H9 | 109.3 |
| C13—Fe—C12 | 41.3 (3) | C11—C9—H9 | 109.3 |
| C13i—Fe—C12i | 41.3 (3) | C10—C9—H9 | 109.3 |
| C13—Fe—C12i | 138.7 (3) | C9—C10—H10A | 109.5 |
| C12—Fe—C12i | 180.0 | C9—C10—H10B | 109.5 |
| C13i—Fe—C16 | 111.4 (3) | H10A—C10—H10B | 109.5 |
| C13—Fe—C16 | 68.6 (3) | C9—C10—H10C | 109.5 |
| C12—Fe—C16 | 40.8 (3) | H10A—C10—H10C | 109.5 |
| C12i—Fe—C16 | 139.2 (3) | H10B—C10—H10C | 109.5 |
| C13i—Fe—C16i | 68.6 (3) | C9—C11—H11A | 109.5 |
| C13—Fe—C16i | 111.4 (3) | C9—C11—H11B | 109.5 |
| C12—Fe—C16i | 139.2 (3) | H11A—C11—H11B | 109.5 |
| C12i—Fe—C16i | 40.8 (3) | C9—C11—H11C | 109.5 |
| C16—Fe—C16i | 180.0 (4) | H11A—C11—H11C | 109.5 |
| C13i—Fe—C15 | 112.4 (3) | H11B—C11—H11C | 109.5 |
| C13—Fe—C15 | 67.6 (3) | C16—C12—C13 | 106.7 (6) |
| C12—Fe—C15 | 68.2 (3) | C16—C12—P1 | 130.5 (5) |
| C12i—Fe—C15 | 111.8 (3) | C13—C12—P1 | 122.8 (5) |
| C16—Fe—C15 | 40.4 (3) | C16—C12—Fe | 69.7 (4) |
| C16i—Fe—C15 | 139.6 (3) | C13—C12—Fe | 68.9 (4) |
| C13i—Fe—C15i | 67.6 (3) | P1—C12—Fe | 127.9 (3) |
| C13—Fe—C15i | 112.4 (3) | C14—C13—C12 | 109.3 (7) |
| C12—Fe—C15i | 111.8 (3) | C14—C13—Fe | 71.2 (4) |
| C12i—Fe—C15i | 68.2 (3) | C12—C13—Fe | 69.7 (4) |
| C16—Fe—C15i | 139.6 (3) | C14—C13—H13 | 125.4 |
| C16i—Fe—C15i | 40.4 (3) | C12—C13—H13 | 125.4 |
| C15—Fe—C15i | 180.0 (2) | Fe—C13—H13 | 125.3 |
| C13i—Fe—C14i | 40.2 (3) | C13—C14—C15 | 107.0 (7) |
| C13—Fe—C14i | 139.8 (3) | C13—C14—Fe | 68.6 (4) |
| C12—Fe—C14i | 111.2 (3) | C15—C14—Fe | 69.3 (4) |
| C12i—Fe—C14i | 68.8 (3) | C13—C14—H14 | 126.5 |
| C16—Fe—C14i | 111.6 (3) | C15—C14—H14 | 126.5 |
| C16i—Fe—C14i | 68.4 (3) | Fe—C14—H14 | 127.1 |
| C15—Fe—C14i | 139.6 (3) | C16—C15—C14 | 109.2 (7) |
| C15i—Fe—C14i | 40.4 (3) | C16—C15—Fe | 69.5 (4) |
| C13i—Fe—C14 | 139.8 (3) | C14—C15—Fe | 70.3 (4) |
| C13—Fe—C14 | 40.2 (3) | C16—C15—H15 | 125.4 |
| C12—Fe—C14 | 68.8 (3) | C14—C15—H15 | 125.4 |
| C12i—Fe—C14 | 111.2 (3) | Fe—C15—H15 | 126.3 |
| C16—Fe—C14 | 68.4 (3) | C15—C16—C12 | 107.9 (7) |
| C16i—Fe—C14 | 111.6 (3) | C15—C16—Fe | 70.1 (4) |
| C15—Fe—C14 | 40.4 (3) | C12—C16—Fe | 69.5 (4) |
| C15i—Fe—C14 | 139.6 (3) | C15—C16—H16 | 126.0 |
| C14i—Fe—C14 | 180.000 (1) | C12—C16—H16 | 126.0 |
| C1—S1—Au | 105.7 (3) | Fe—C16—H16 | 126.0 |
| C12—P1—C23 | 108.0 (3) | C18—C17—C22 | 119.3 (7) |
| C12—P1—C17 | 104.2 (3) | C18—C17—P1 | 118.6 (5) |
| C23—P1—C17 | 104.0 (3) | C22—C17—P1 | 122.1 (6) |
| C12—P1—Au | 114.8 (2) | C17—C18—C19 | 119.9 (8) |
| C23—P1—Au | 110.6 (2) | C17—C18—H18 | 120.0 |
| C17—P1—Au | 114.5 (2) | C19—C18—H18 | 120.0 |
| C1—O1—C9 | 116.5 (5) | C20—C19—C18 | 120.1 (8) |
| C1—N1—C2 | 120.7 (7) | C20—C19—H19 | 120.0 |
| N1—C1—O1 | 120.6 (7) | C18—C19—H19 | 120.0 |
| N1—C1—S1 | 125.4 (6) | C21—C20—C19 | 120.0 (8) |
| O1—C1—S1 | 114.0 (5) | C21—C20—H20 | 120.0 |
| C7—C2—C3 | 117.1 (8) | C19—C20—H20 | 120.0 |
| C7—C2—N1 | 122.6 (8) | C20—C21—C22 | 120.8 (8) |
| C3—C2—N1 | 119.9 (8) | C20—C21—H21 | 119.6 |
| C2—C3—C4 | 120.5 (9) | C22—C21—H21 | 119.6 |
| C2—C3—H3 | 119.7 | C21—C22—C17 | 119.8 (8) |
| C4—C3—H3 | 119.7 | C21—C22—H22 | 120.1 |
| C5—C4—C3 | 122.4 (9) | C17—C22—H22 | 120.1 |
| C5—C4—H4 | 118.8 | C24—C23—C28 | 119.2 (7) |
| C3—C4—H4 | 118.8 | C24—C23—P1 | 119.8 (5) |
| C6—C5—C4 | 115.9 (9) | C28—C23—P1 | 121.0 (5) |
| C6—C5—C8 | 122.3 (10) | C23—C24—C25 | 120.4 (8) |
| C4—C5—C8 | 121.7 (10) | C23—C24—H24 | 119.8 |
| C5—C6—C7 | 122.3 (9) | C25—C24—H24 | 119.8 |
| C5—C6—H6 | 118.8 | C26—C25—C24 | 120.2 (8) |
| C7—C6—H6 | 118.8 | C26—C25—H25 | 119.9 |
| C2—C7—C6 | 121.7 (9) | C24—C25—H25 | 119.9 |
| C2—C7—H7 | 119.1 | C25—C26—C27 | 121.1 (7) |
| C6—C7—H7 | 119.1 | C25—C26—H26 | 119.5 |
| C5—C8—H8A | 109.5 | C27—C26—H26 | 119.5 |
| C5—C8—H8B | 109.5 | C26—C27—C28 | 118.7 (8) |
| H8A—C8—H8B | 109.5 | C26—C27—H27 | 120.6 |
| C5—C8—H8C | 109.5 | C28—C27—H27 | 120.6 |
| H8A—C8—H8C | 109.5 | C27—C28—C23 | 120.3 (7) |
| H8B—C8—H8C | 109.5 | C27—C28—H28 | 119.9 |
| O1—C9—C11 | 110.2 (6) | C23—C28—H28 | 119.9 |
| C2—N1—C1—O1 | 178.4 (7) | C16—Fe—C14—C13 | 81.9 (5) |
| C2—N1—C1—S1 | −3.5 (11) | C16i—Fe—C14—C13 | −98.1 (5) |
| C9—O1—C1—N1 | −6.9 (10) | C15—Fe—C14—C13 | 118.9 (6) |
| C9—O1—C1—S1 | 174.8 (5) | C15i—Fe—C14—C13 | −61.1 (6) |
| Au—S1—C1—N1 | 179.4 (6) | C13i—Fe—C14—C15 | 61.1 (6) |
| Au—S1—C1—O1 | −2.4 (6) | C13—Fe—C14—C15 | −118.9 (6) |
| C1—N1—C2—C7 | 101.8 (9) | C12—Fe—C14—C15 | −80.9 (5) |
| C1—N1—C2—C3 | −85.8 (10) | C12i—Fe—C14—C15 | 99.1 (5) |
| C7—C2—C3—C4 | −3.1 (13) | C16—Fe—C14—C15 | −37.0 (4) |
| N1—C2—C3—C4 | −175.9 (7) | C16i—Fe—C14—C15 | 143.0 (4) |
| C2—C3—C4—C5 | 3.3 (14) | C15i—Fe—C14—C15 | 180.0 |
| C3—C4—C5—C6 | −1.7 (13) | C13—C14—C15—C16 | 0.3 (8) |
| C3—C4—C5—C8 | −178.0 (9) | Fe—C14—C15—C16 | 58.8 (5) |
| C4—C5—C6—C7 | 0.2 (13) | C13—C14—C15—Fe | −58.5 (5) |
| C8—C5—C6—C7 | 176.4 (8) | C13i—Fe—C15—C16 | 97.3 (5) |
| C3—C2—C7—C6 | 1.7 (12) | C13—Fe—C15—C16 | −82.7 (5) |
| N1—C2—C7—C6 | 174.3 (8) | C12—Fe—C15—C16 | −38.0 (4) |
| C5—C6—C7—C2 | −0.3 (14) | C12i—Fe—C15—C16 | 142.0 (4) |
| C1—O1—C9—C11 | −78.4 (8) | C14i—Fe—C15—C16 | 59.6 (6) |
| C1—O1—C9—C10 | 158.6 (6) | C14—Fe—C15—C16 | −120.4 (6) |
| C23—P1—C12—C16 | 24.5 (7) | C13i—Fe—C15—C14 | −142.3 (4) |
| C17—P1—C12—C16 | −85.7 (6) | C13—Fe—C15—C14 | 37.7 (4) |
| Au—P1—C12—C16 | 148.3 (5) | C12—Fe—C15—C14 | 82.4 (5) |
| C23—P1—C12—C13 | −158.2 (5) | C12i—Fe—C15—C14 | −97.6 (5) |
| C17—P1—C12—C13 | 91.7 (5) | C16—Fe—C15—C14 | 120.4 (6) |
| Au—P1—C12—C13 | −34.4 (6) | C16i—Fe—C15—C14 | −59.6 (6) |
| C23—P1—C12—Fe | −70.5 (5) | C14—C15—C16—C12 | 0.1 (8) |
| C17—P1—C12—Fe | 179.3 (4) | Fe—C15—C16—C12 | 59.4 (5) |
| Au—P1—C12—Fe | 53.3 (4) | C14—C15—C16—Fe | −59.3 (5) |
| C13i—Fe—C12—C16 | −62.0 (6) | C13—C12—C16—C15 | −0.5 (7) |
| C13—Fe—C12—C16 | 118.0 (6) | P1—C12—C16—C15 | 177.2 (5) |
| C16i—Fe—C12—C16 | 180.0 | Fe—C12—C16—C15 | −59.8 (5) |
| C15—Fe—C12—C16 | 37.6 (4) | C13—C12—C16—Fe | 59.3 (4) |
| C15i—Fe—C12—C16 | −142.4 (4) | P1—C12—C16—Fe | −123.0 (6) |
| C14i—Fe—C12—C16 | −98.9 (4) | C13i—Fe—C16—C15 | −99.8 (5) |
| C14—Fe—C12—C16 | 81.1 (4) | C13—Fe—C16—C15 | 80.2 (5) |
| C13i—Fe—C12—C13 | 180.0 | C12—Fe—C16—C15 | 119.0 (6) |
| C16—Fe—C12—C13 | −118.0 (6) | C12i—Fe—C16—C15 | −61.0 (6) |
| C16i—Fe—C12—C13 | 62.0 (6) | C14i—Fe—C16—C15 | −143.1 (5) |
| C15—Fe—C12—C13 | −80.4 (4) | C14—Fe—C16—C15 | 36.9 (5) |
| C15i—Fe—C12—C13 | 99.6 (4) | C13i—Fe—C16—C12 | 141.2 (4) |
| C14i—Fe—C12—C13 | 143.1 (4) | C13—Fe—C16—C12 | −38.8 (4) |
| C14—Fe—C12—C13 | −36.9 (4) | C12i—Fe—C16—C12 | 180.0 |
| C13i—Fe—C12—P1 | 64.2 (6) | C15—Fe—C16—C12 | −119.0 (6) |
| C13—Fe—C12—P1 | −115.8 (6) | C15i—Fe—C16—C12 | 61.0 (6) |
| C16—Fe—C12—P1 | 126.1 (6) | C14i—Fe—C16—C12 | 97.9 (4) |
| C16i—Fe—C12—P1 | −53.9 (6) | C14—Fe—C16—C12 | −82.1 (4) |
| C15—Fe—C12—P1 | 163.8 (5) | C12—P1—C17—C18 | −177.4 (5) |
| C15i—Fe—C12—P1 | −16.2 (5) | C23—P1—C17—C18 | 69.6 (6) |
| C14i—Fe—C12—P1 | 27.3 (5) | Au—P1—C17—C18 | −51.2 (6) |
| C14—Fe—C12—P1 | −152.7 (5) | C12—P1—C17—C22 | 0.7 (6) |
| C16—C12—C13—C14 | 0.7 (7) | C23—P1—C17—C22 | −112.3 (6) |
| P1—C12—C13—C14 | −177.2 (5) | Au—P1—C17—C22 | 126.9 (5) |
| Fe—C12—C13—C14 | 60.5 (5) | C22—C17—C18—C19 | 2.1 (10) |
| C16—C12—C13—Fe | −59.8 (4) | P1—C17—C18—C19 | −179.7 (6) |
| P1—C12—C13—Fe | 122.3 (5) | C17—C18—C19—C20 | −1.8 (12) |
| C12—Fe—C13—C14 | −119.8 (6) | C18—C19—C20—C21 | 0.2 (13) |
| C12i—Fe—C13—C14 | 60.2 (6) | C19—C20—C21—C22 | 1.1 (12) |
| C16—Fe—C13—C14 | −81.5 (5) | C20—C21—C22—C17 | −0.8 (12) |
| C16i—Fe—C13—C14 | 98.5 (5) | C18—C17—C22—C21 | −0.8 (10) |
| C15—Fe—C13—C14 | −37.8 (5) | P1—C17—C22—C21 | −178.9 (6) |
| C15i—Fe—C13—C14 | 142.2 (5) | C12—P1—C23—C24 | 106.1 (6) |
| C14i—Fe—C13—C14 | 180.0 | C17—P1—C23—C24 | −143.6 (6) |
| C12i—Fe—C13—C12 | 180.0 | Au—P1—C23—C24 | −20.2 (6) |
| C16—Fe—C13—C12 | 38.3 (4) | C12—P1—C23—C28 | −76.4 (6) |
| C16i—Fe—C13—C12 | −141.7 (4) | C17—P1—C23—C28 | 33.9 (7) |
| C15—Fe—C13—C12 | 82.0 (4) | Au—P1—C23—C28 | 157.3 (5) |
| C15i—Fe—C13—C12 | −98.0 (4) | C28—C23—C24—C25 | −0.3 (12) |
| C14i—Fe—C13—C12 | −60.2 (6) | P1—C23—C24—C25 | 177.2 (6) |
| C14—Fe—C13—C12 | 119.8 (6) | C23—C24—C25—C26 | 1.0 (13) |
| C12—C13—C14—C15 | −0.6 (7) | C24—C25—C26—C27 | −1.8 (14) |
| Fe—C13—C14—C15 | 59.0 (5) | C25—C26—C27—C28 | 1.9 (13) |
| C12—C13—C14—Fe | −59.6 (4) | C26—C27—C28—C23 | −1.2 (12) |
| C13i—Fe—C14—C13 | 180.0 | C24—C23—C28—C27 | 0.4 (11) |
| C12—Fe—C14—C13 | 37.9 (4) | P1—C23—C28—C27 | −177.0 (6) |
| C12i—Fe—C14—C13 | −142.1 (4) |
| H··· | ||||
| C25—H25···N1ii | 0.94 | 2.45 | 3.370 (11) | 167 |
Selected bond lengths (Å)
| Au—S1 | 2.2883 (19) |
| Au—P1 | 2.2520 (17) |
Hydrogen-bond geometry (Å, °)
|
|
| H⋯ |
|
|
|---|---|---|---|---|
| C25—H25⋯N1i | 0.94 | 2.45 | 3.370 (11) | 167 |
Symmetry code: (i) .