Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806020460/lh2090sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806020460/lh2090Isup2.hkl |
CCDC reference: 613770
Data collection: COLLECT (Nonius, 2000); cell refinement: DENZO and SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Au(C10H8S2)(C18H15P)2] | F(000) = 1832 |
Mr = 916.81 | Dx = 1.543 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2yb | Cell parameters from 10009 reflections |
a = 12.277 (3) Å | θ = 2.6–29.1° |
b = 18.803 (4) Å | µ = 3.95 mm−1 |
c = 17.132 (4) Å | T = 100 K |
β = 93.922 (9)° | Fragment, reddish |
V = 3945.6 (16) Å3 | 0.19 × 0.17 × 0.13 mm |
Z = 4 |
Bruker Nonius KappaCCD area-detector diffractometer | 15115 reflections with I > 2σ(I) |
ω scans with κ offsets | Rint = 0 |
Absorption correction: multi-scan HKL SCALEPACK (Otwinowski & Minor 1997) | θmax = 29.1°, θmin = 2.8° |
Tmin = 0.551, Tmax = 0.601 | h = −16→16 |
20259 measured reflections | k = −25→24 |
20259 independent reflections | l = −23→23 |
Refinement on F2 | H-atom parameters constrained |
Least-squares matrix: full | w = 1/[σ2(Fo2) + 14.6708P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.066 | (Δ/σ)max = 0.007 |
wR(F2) = 0.099 | Δρmax = 3.28 e Å−3 |
S = 1.05 | Δρmin = −1.54 e Å−3 |
20259 reflections | Absolute structure: Flack (1983), with 9362 Friedel pairs |
927 parameters | Absolute structure parameter: 0.146 (5) |
1 restraint |
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. |
x | y | z | Uiso*/Ueq | ||
C1 | 0.6717 (7) | 0.4713 (4) | 0.1429 (5) | 0.0233 (19) | |
C2 | 0.7753 (6) | 0.4992 (6) | 0.1313 (4) | 0.0277 (17) | |
H2 | 0.7814 | 0.5445 | 0.1074 | 0.033* | |
C3 | 0.8698 (7) | 0.4610 (5) | 0.1547 (5) | 0.032 (2) | |
H3 | 0.9399 | 0.4805 | 0.1479 | 0.039* | |
C4 | 0.8598 (8) | 0.3946 (5) | 0.1878 (6) | 0.039 (2) | |
H4 | 0.9232 | 0.3682 | 0.2044 | 0.047* | |
C5 | 0.7586 (9) | 0.3670 (5) | 0.1965 (7) | 0.045 (3) | |
H5 | 0.7522 | 0.3207 | 0.218 | 0.054* | |
C6 | 0.6652 (8) | 0.4050 (5) | 0.1746 (6) | 0.044 (3) | |
H6 | 0.5957 | 0.3847 | 0.1816 | 0.052* | |
C7 | 0.5072 (6) | 0.4787 (4) | 0.0141 (5) | 0.0190 (18) | |
C8 | 0.5684 (7) | 0.4278 (4) | −0.0203 (5) | 0.029 (2) | |
H8 | 0.6333 | 0.4107 | 0.0068 | 0.034* | |
C9 | 0.5370 (7) | 0.4007 (5) | −0.0941 (6) | 0.034 (2) | |
H9 | 0.5792 | 0.3647 | −0.1167 | 0.04* | |
C10 | 0.4441 (8) | 0.4265 (5) | −0.1340 (5) | 0.033 (2) | |
H10 | 0.4235 | 0.4097 | −0.1852 | 0.04* | |
C11 | 0.3803 (7) | 0.4772 (4) | −0.0993 (5) | 0.033 (2) | |
H11 | 0.3151 | 0.4937 | −0.1263 | 0.04* | |
C12 | 0.4111 (6) | 0.5037 (5) | −0.0258 (4) | 0.0245 (16) | |
H12 | 0.3675 | 0.5384 | −0.0024 | 0.029* | |
C13 | 0.5915 (6) | 0.6069 (4) | 0.0867 (5) | 0.0194 (19) | |
C14 | 0.6133 (7) | 0.6526 (4) | 0.1490 (5) | 0.029 (2) | |
H14 | 0.6004 | 0.6377 | 0.2005 | 0.035* | |
C15 | 0.6538 (8) | 0.7200 (5) | 0.1366 (6) | 0.037 (3) | |
H15 | 0.668 | 0.7511 | 0.1797 | 0.045* | |
C16 | 0.6738 (7) | 0.7423 (5) | 0.0623 (6) | 0.038 (3) | |
H16 | 0.7025 | 0.7885 | 0.0542 | 0.046* | |
C17 | 0.6518 (7) | 0.6970 (4) | −0.0006 (6) | 0.031 (2) | |
H17 | 0.663 | 0.7126 | −0.0522 | 0.037* | |
C18 | 0.6132 (7) | 0.6287 (4) | 0.0118 (5) | 0.0247 (19) | |
H18 | 0.6017 | 0.5969 | −0.031 | 0.03* | |
C19 | 0.2392 (7) | 0.3582 (4) | 0.1912 (5) | 0.022 (2) | |
C20 | 0.2327 (8) | 0.3746 (4) | 0.1116 (5) | 0.032 (2) | |
H20 | 0.2786 | 0.4103 | 0.0924 | 0.039* | |
C21 | 0.1594 (8) | 0.3390 (5) | 0.0607 (6) | 0.040 (3) | |
H21 | 0.1546 | 0.3515 | 0.0069 | 0.049* | |
C22 | 0.0933 (8) | 0.2860 (5) | 0.0859 (7) | 0.040 (3) | |
H22 | 0.0436 | 0.2621 | 0.0499 | 0.048* | |
C23 | 0.1000 (8) | 0.2679 (5) | 0.1646 (7) | 0.042 (3) | |
H23 | 0.0565 | 0.2304 | 0.1827 | 0.051* | |
C24 | 0.1704 (8) | 0.3048 (4) | 0.2168 (6) | 0.034 (2) | |
H24 | 0.172 | 0.2937 | 0.271 | 0.04* | |
C25 | 0.4165 (7) | 0.3615 (4) | 0.3203 (5) | 0.024 (2) | |
C26 | 0.3939 (8) | 0.2948 (4) | 0.3486 (6) | 0.039 (2) | |
H26 | 0.3273 | 0.272 | 0.3318 | 0.047* | |
C27 | 0.4674 (9) | 0.2605 (5) | 0.4016 (6) | 0.041 (3) | |
H27 | 0.4495 | 0.2153 | 0.422 | 0.049* | |
C28 | 0.5646 (9) | 0.2914 (5) | 0.4242 (7) | 0.047 (3) | |
H28 | 0.6151 | 0.2677 | 0.4597 | 0.03 (2)* | |
C29 | 0.5888 (10) | 0.3562 (6) | 0.3955 (8) | 0.072 (4) | |
H29 | 0.6562 | 0.3783 | 0.4119 | 0.086* | |
C30 | 0.5169 (10) | 0.3908 (6) | 0.3427 (8) | 0.063 (4) | |
H30 | 0.5368 | 0.4352 | 0.3216 | 0.075* | |
C31 | 0.2195 (7) | 0.4395 (4) | 0.3270 (5) | 0.0201 (18) | |
C32 | 0.2433 (7) | 0.4420 (4) | 0.4068 (5) | 0.0227 (19) | |
H32 | 0.3152 | 0.4312 | 0.4274 | 0.027* | |
C33 | 0.1644 (7) | 0.4599 (4) | 0.4577 (5) | 0.027 (2) | |
H33 | 0.1823 | 0.4621 | 0.5125 | 0.033* | |
C34 | 0.0596 (8) | 0.4745 (4) | 0.4279 (6) | 0.034 (2) | |
H34 | 0.0042 | 0.4843 | 0.4625 | 0.04* | |
C35 | 0.0344 (7) | 0.4749 (4) | 0.3474 (5) | 0.032 (2) | |
H35 | −0.0372 | 0.4865 | 0.3268 | 0.038* | |
C36 | 0.1146 (7) | 0.4583 (4) | 0.2979 (5) | 0.027 (2) | |
H36 | 0.0981 | 0.4598 | 0.2429 | 0.033* | |
C37 | 0.3573 (7) | 0.6428 (4) | 0.2919 (5) | 0.0239 (19) | |
C38 | 0.3235 (6) | 0.7094 (4) | 0.3317 (5) | 0.0192 (17) | |
C39 | 0.2333 (7) | 0.7089 (4) | 0.3752 (5) | 0.027 (2) | |
C40 | 0.2025 (7) | 0.7728 (4) | 0.4103 (5) | 0.031 (2) | |
H40 | 0.142 | 0.7725 | 0.4421 | 0.037* | |
C41 | 0.2566 (8) | 0.8355 (4) | 0.4004 (5) | 0.032 (2) | |
C42 | 0.3452 (7) | 0.8341 (4) | 0.3554 (6) | 0.033 (2) | |
H42 | 0.3831 | 0.8773 | 0.3477 | 0.039* | |
C43 | 0.3821 (7) | 0.7726 (4) | 0.3206 (5) | 0.026 (2) | |
C44 | 0.1675 (7) | 0.6423 (4) | 0.3855 (5) | 0.028 (2) | |
H44A | 0.1216 | 0.6329 | 0.3375 | 0.042* | |
H44B | 0.1211 | 0.6487 | 0.4293 | 0.042* | |
H44C | 0.217 | 0.6021 | 0.3964 | 0.042* | |
C45 | 0.2205 (8) | 0.9052 (5) | 0.4346 (7) | 0.052 (3) | |
H45A | 0.1775 | 0.9322 | 0.3943 | 0.078* | |
H45B | 0.2848 | 0.9329 | 0.4529 | 0.078* | |
H45C | 0.1757 | 0.8956 | 0.4786 | 0.078* | |
C46 | 0.4780 (8) | 0.7750 (5) | 0.2706 (6) | 0.036 (2) | |
H46A | 0.506 | 0.8238 | 0.2692 | 0.054* | |
H46B | 0.455 | 0.7595 | 0.2174 | 0.054* | |
H46C | 0.5356 | 0.7434 | 0.2928 | 0.054* | |
C47 | 0.2882 (7) | 0.5689 (4) | 0.6337 (5) | 0.0205 (19) | |
C48 | 0.3469 (6) | 0.5071 (4) | 0.6446 (4) | 0.0226 (16) | |
H48 | 0.3306 | 0.4749 | 0.6849 | 0.027* | |
C49 | 0.4303 (6) | 0.4922 (5) | 0.5961 (5) | 0.033 (2) | |
H49 | 0.4724 | 0.4501 | 0.6038 | 0.04* | |
C50 | 0.4518 (7) | 0.5385 (4) | 0.5372 (5) | 0.027 (2) | |
H50 | 0.5081 | 0.5277 | 0.5037 | 0.032* | |
C51 | 0.3940 (7) | 0.5990 (4) | 0.5262 (5) | 0.0261 (19) | |
H51 | 0.4095 | 0.6303 | 0.4849 | 0.031* | |
C52 | 0.3123 (7) | 0.6156 (4) | 0.5749 (5) | 0.0205 (18) | |
H52 | 0.2729 | 0.6589 | 0.568 | 0.025* | |
C53 | 0.0949 (7) | 0.6534 (4) | 0.6466 (5) | 0.0205 (19) | |
C54 | 0.0268 (8) | 0.6269 (5) | 0.5854 (6) | 0.035 (2) | |
H54 | 0.0264 | 0.5774 | 0.574 | 0.042* | |
C55 | −0.0398 (8) | 0.6721 (5) | 0.5416 (6) | 0.039 (2) | |
H55 | −0.0845 | 0.654 | 0.4986 | 0.047* | |
C56 | −0.0428 (8) | 0.7441 (5) | 0.5591 (6) | 0.041 (3) | |
H56 | −0.0901 | 0.7753 | 0.5293 | 0.049* | |
C57 | 0.0230 (9) | 0.7689 (5) | 0.6196 (6) | 0.044 (3) | |
H57 | 0.0221 | 0.8182 | 0.6316 | 0.052* | |
C58 | 0.0920 (9) | 0.7240 (4) | 0.6644 (6) | 0.037 (2) | |
H58 | 0.1368 | 0.7424 | 0.7072 | 0.044* | |
C59 | 0.2580 (7) | 0.6421 (4) | 0.7776 (5) | 0.023 (2) | |
C60 | 0.3575 (7) | 0.6742 (5) | 0.7681 (5) | 0.031 (2) | |
H60 | 0.3881 | 0.672 | 0.7187 | 0.038* | |
C61 | 0.4130 (8) | 0.7095 (5) | 0.8297 (7) | 0.042 (3) | |
H61 | 0.4817 | 0.7309 | 0.8223 | 0.051* | |
C62 | 0.3696 (9) | 0.7140 (5) | 0.9013 (6) | 0.039 (3) | |
H62 | 0.4073 | 0.7385 | 0.9434 | 0.047* | |
C63 | 0.2720 (9) | 0.6826 (5) | 0.9108 (5) | 0.039 (2) | |
H63 | 0.2418 | 0.6853 | 0.9603 | 0.047* | |
C64 | 0.2153 (8) | 0.6470 (4) | 0.8504 (5) | 0.033 (2) | |
H64 | 0.1468 | 0.6257 | 0.8587 | 0.04* | |
C65 | −0.1776 (6) | 0.5413 (4) | 0.7927 (5) | 0.0186 (18) | |
C66 | −0.1689 (7) | 0.5843 (4) | 0.7267 (5) | 0.028 (2) | |
H66 | −0.0994 | 0.5921 | 0.7069 | 0.033* | |
C67 | −0.2600 (8) | 0.6154 (5) | 0.6903 (5) | 0.037 (2) | |
H67 | −0.2536 | 0.6453 | 0.6461 | 0.044* | |
C68 | −0.3618 (8) | 0.6029 (5) | 0.7186 (6) | 0.036 (2) | |
H68 | −0.4252 | 0.6227 | 0.6922 | 0.044* | |
C69 | −0.3716 (8) | 0.5623 (5) | 0.7840 (7) | 0.046 (3) | |
H69 | −0.4411 | 0.5556 | 0.8041 | 0.055* | |
C70 | −0.2796 (7) | 0.5310 (4) | 0.8209 (5) | 0.033 (2) | |
H70 | −0.2865 | 0.5023 | 0.8659 | 0.039* | |
C71 | −0.1103 (6) | 0.4132 (4) | 0.8693 (5) | 0.0172 (17) | |
C72 | −0.1423 (7) | 0.3633 (4) | 0.8124 (5) | 0.0245 (19) | |
H72 | −0.1327 | 0.3731 | 0.7589 | 0.029* | |
C73 | −0.1874 (7) | 0.3002 (4) | 0.8330 (5) | 0.027 (2) | |
H73 | −0.2086 | 0.2664 | 0.7936 | 0.033* | |
C74 | −0.2028 (7) | 0.2847 (4) | 0.9099 (5) | 0.0226 (19) | |
H74 | −0.2353 | 0.2409 | 0.9233 | 0.027* | |
C75 | −0.1701 (7) | 0.3339 (4) | 0.9681 (5) | 0.025 (2) | |
H75 | −0.1791 | 0.3235 | 1.0216 | 0.03* | |
C76 | −0.1243 (7) | 0.3980 (4) | 0.9470 (6) | 0.022 (2) | |
H76 | −0.1025 | 0.4318 | 0.9862 | 0.027* | |
C77 | −0.0179 (7) | 0.5433 (4) | 0.9288 (4) | 0.0181 (17) | |
C78 | 0.0806 (7) | 0.5235 (4) | 0.9694 (5) | 0.028 (2) | |
H78 | 0.1248 | 0.4877 | 0.9485 | 0.034* | |
C79 | 0.1132 (7) | 0.5551 (4) | 1.0388 (5) | 0.026 (2) | |
H79 | 0.1799 | 0.541 | 1.0658 | 0.032* | |
C80 | 0.0505 (8) | 0.6071 (4) | 1.0701 (5) | 0.031 (2) | |
H80 | 0.0741 | 0.6293 | 1.1181 | 0.037* | |
C81 | −0.0467 (8) | 0.6268 (4) | 1.0311 (5) | 0.031 (2) | |
H81 | −0.0913 | 0.6617 | 1.0532 | 0.037* | |
C82 | −0.0800 (7) | 0.5959 (4) | 0.9595 (5) | 0.023 (2) | |
H82 | −0.1457 | 0.6111 | 0.9319 | 0.028* | |
C83 | 0.1407 (7) | 0.3413 (4) | 0.6917 (5) | 0.026 (2) | |
C84 | 0.1726 (6) | 0.2670 (4) | 0.6706 (5) | 0.0210 (18) | |
C85 | 0.2533 (7) | 0.2548 (4) | 0.6198 (5) | 0.026 (2) | |
C86 | 0.2813 (7) | 0.1847 (4) | 0.6036 (5) | 0.029 (2) | |
H86 | 0.3362 | 0.1763 | 0.5682 | 0.034* | |
C87 | 0.2323 (7) | 0.1265 (4) | 0.6371 (5) | 0.028 (2) | |
C88 | 0.1518 (7) | 0.1405 (4) | 0.6877 (5) | 0.030 (2) | |
H88 | 0.1168 | 0.1017 | 0.7112 | 0.036* | |
C89 | 0.1201 (7) | 0.2095 (4) | 0.7054 (5) | 0.027 (2) | |
C90 | 0.3104 (8) | 0.3148 (5) | 0.5811 (6) | 0.035 (2) | |
H90A | 0.2656 | 0.3309 | 0.5349 | 0.052* | |
H90B | 0.3813 | 0.2983 | 0.5652 | 0.052* | |
H90C | 0.3215 | 0.3544 | 0.618 | 0.052* | |
C91 | 0.2626 (7) | 0.0513 (4) | 0.6189 (6) | 0.039 (2) | |
H91A | 0.1982 | 0.0262 | 0.5958 | 0.058* | |
H91B | 0.2895 | 0.0273 | 0.6671 | 0.058* | |
H91C | 0.3198 | 0.0514 | 0.5817 | 0.058* | |
C92 | 0.0331 (8) | 0.2227 (5) | 0.7608 (6) | 0.036 (2) | |
H92A | −0.0015 | 0.1775 | 0.7732 | 0.054* | |
H92B | −0.0219 | 0.255 | 0.7365 | 0.054* | |
H92C | 0.0658 | 0.2441 | 0.809 | 0.054* | |
Au1 | 0.40956 (2) | 0.506823 (14) | 0.195725 (18) | 0.02387 (8) | |
Au2 | 0.09083 (2) | 0.494836 (13) | 0.754908 (17) | 0.02288 (8) | |
P1 | 0.54579 (17) | 0.51733 (10) | 0.10953 (12) | 0.0207 (5) | |
P2 | 0.32074 (19) | 0.41526 (11) | 0.25841 (14) | 0.0216 (5) | |
P3 | 0.18320 (17) | 0.58916 (10) | 0.70196 (13) | 0.0184 (5) | |
P4 | −0.05466 (14) | 0.49726 (12) | 0.83623 (10) | 0.0181 (4) | |
S1 | 0.46054 (19) | 0.59383 (11) | 0.33036 (13) | 0.0245 (5) | |
S2 | 0.29084 (19) | 0.62080 (10) | 0.20475 (14) | 0.0255 (5) | |
S3 | 0.1950 (2) | 0.37588 (11) | 0.77695 (14) | 0.0265 (5) | |
S4 | 0.05408 (19) | 0.38847 (11) | 0.63257 (14) | 0.0270 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.022 (5) | 0.028 (4) | 0.020 (5) | 0.009 (3) | 0.003 (4) | −0.002 (3) |
C2 | 0.019 (4) | 0.044 (5) | 0.020 (4) | 0.010 (5) | 0.000 (3) | −0.001 (5) |
C3 | 0.018 (5) | 0.050 (5) | 0.028 (5) | −0.003 (4) | −0.004 (4) | −0.002 (4) |
C4 | 0.035 (6) | 0.047 (6) | 0.035 (6) | 0.012 (5) | −0.013 (5) | −0.017 (5) |
C5 | 0.041 (7) | 0.027 (5) | 0.066 (8) | −0.004 (4) | −0.002 (6) | 0.003 (5) |
C6 | 0.025 (6) | 0.039 (5) | 0.065 (8) | −0.006 (4) | −0.005 (5) | 0.016 (5) |
C7 | 0.018 (4) | 0.021 (4) | 0.018 (4) | −0.004 (3) | 0.005 (3) | −0.008 (3) |
C8 | 0.022 (5) | 0.029 (4) | 0.034 (6) | 0.000 (4) | −0.006 (4) | −0.010 (4) |
C9 | 0.022 (5) | 0.035 (5) | 0.045 (6) | 0.005 (4) | 0.002 (5) | −0.013 (4) |
C10 | 0.034 (6) | 0.040 (5) | 0.025 (5) | −0.007 (4) | 0.006 (4) | −0.015 (4) |
C11 | 0.027 (5) | 0.039 (5) | 0.033 (5) | −0.001 (4) | −0.005 (4) | −0.009 (4) |
C12 | 0.015 (4) | 0.029 (4) | 0.029 (4) | −0.002 (4) | −0.003 (3) | −0.011 (4) |
C13 | 0.009 (4) | 0.018 (4) | 0.032 (5) | −0.003 (3) | 0.003 (4) | 0.002 (3) |
C14 | 0.031 (5) | 0.032 (5) | 0.025 (5) | −0.009 (4) | 0.004 (4) | −0.012 (4) |
C15 | 0.036 (6) | 0.042 (5) | 0.035 (6) | −0.022 (4) | 0.011 (5) | −0.014 (4) |
C16 | 0.025 (6) | 0.032 (5) | 0.059 (8) | −0.009 (4) | 0.012 (5) | −0.004 (5) |
C17 | 0.026 (5) | 0.033 (5) | 0.035 (6) | −0.005 (4) | 0.005 (4) | 0.004 (4) |
C18 | 0.022 (5) | 0.026 (4) | 0.026 (5) | −0.002 (4) | 0.000 (4) | 0.000 (4) |
C19 | 0.025 (5) | 0.016 (4) | 0.022 (5) | 0.002 (3) | −0.007 (4) | −0.004 (3) |
C20 | 0.036 (6) | 0.025 (4) | 0.035 (6) | 0.006 (4) | −0.002 (5) | −0.005 (4) |
C21 | 0.053 (7) | 0.037 (5) | 0.031 (6) | 0.016 (5) | 0.000 (5) | −0.009 (4) |
C22 | 0.034 (6) | 0.027 (5) | 0.057 (8) | 0.007 (4) | −0.018 (5) | −0.014 (5) |
C23 | 0.027 (6) | 0.023 (5) | 0.076 (9) | 0.000 (4) | −0.008 (6) | −0.009 (5) |
C24 | 0.035 (6) | 0.029 (4) | 0.035 (6) | −0.005 (4) | −0.013 (5) | 0.001 (4) |
C25 | 0.014 (5) | 0.021 (4) | 0.037 (6) | 0.007 (3) | −0.007 (4) | 0.000 (4) |
C26 | 0.035 (6) | 0.030 (5) | 0.051 (7) | −0.003 (4) | −0.002 (5) | 0.007 (4) |
C27 | 0.048 (7) | 0.030 (5) | 0.042 (7) | 0.010 (5) | −0.012 (5) | 0.007 (4) |
C28 | 0.049 (7) | 0.036 (5) | 0.052 (7) | 0.017 (5) | −0.016 (6) | −0.003 (5) |
C29 | 0.055 (8) | 0.063 (7) | 0.091 (11) | −0.018 (6) | −0.049 (8) | 0.018 (7) |
C30 | 0.053 (8) | 0.040 (6) | 0.091 (10) | −0.012 (5) | −0.024 (7) | 0.016 (6) |
C31 | 0.025 (5) | 0.015 (4) | 0.021 (5) | 0.001 (3) | 0.007 (4) | 0.000 (3) |
C32 | 0.023 (5) | 0.024 (4) | 0.021 (5) | 0.002 (3) | −0.003 (4) | 0.005 (3) |
C33 | 0.038 (6) | 0.026 (4) | 0.017 (5) | 0.002 (4) | 0.001 (4) | −0.001 (3) |
C34 | 0.036 (6) | 0.031 (5) | 0.036 (6) | −0.008 (4) | 0.017 (5) | −0.010 (4) |
C35 | 0.025 (5) | 0.031 (5) | 0.039 (6) | −0.004 (4) | −0.002 (4) | −0.002 (4) |
C36 | 0.033 (6) | 0.025 (4) | 0.025 (5) | 0.001 (4) | 0.004 (4) | 0.000 (4) |
C37 | 0.020 (5) | 0.023 (4) | 0.028 (5) | −0.006 (3) | −0.001 (4) | 0.000 (4) |
C38 | 0.015 (4) | 0.018 (4) | 0.023 (5) | 0.005 (3) | −0.009 (4) | −0.001 (3) |
C39 | 0.025 (5) | 0.029 (4) | 0.025 (5) | 0.006 (4) | −0.010 (4) | −0.002 (4) |
C40 | 0.027 (5) | 0.034 (5) | 0.032 (6) | 0.005 (4) | 0.000 (4) | −0.008 (4) |
C41 | 0.031 (6) | 0.033 (5) | 0.031 (6) | 0.010 (4) | −0.012 (4) | −0.016 (4) |
C42 | 0.024 (5) | 0.020 (4) | 0.051 (7) | 0.001 (4) | −0.017 (5) | −0.003 (4) |
C43 | 0.023 (5) | 0.029 (4) | 0.022 (5) | 0.000 (4) | −0.015 (4) | 0.000 (4) |
C44 | 0.021 (5) | 0.030 (4) | 0.033 (6) | 0.000 (4) | −0.003 (4) | 0.001 (4) |
C45 | 0.037 (6) | 0.031 (5) | 0.084 (9) | 0.013 (4) | −0.026 (6) | −0.028 (5) |
C46 | 0.037 (6) | 0.037 (5) | 0.033 (6) | −0.012 (4) | −0.003 (5) | 0.004 (4) |
C47 | 0.016 (5) | 0.024 (4) | 0.021 (5) | −0.007 (3) | 0.003 (4) | −0.005 (3) |
C48 | 0.025 (4) | 0.020 (4) | 0.023 (4) | 0.000 (4) | 0.005 (3) | 0.005 (4) |
C49 | 0.021 (4) | 0.041 (5) | 0.038 (5) | 0.007 (4) | 0.006 (4) | 0.009 (5) |
C50 | 0.019 (5) | 0.029 (4) | 0.032 (6) | 0.000 (4) | 0.003 (4) | 0.004 (4) |
C51 | 0.022 (5) | 0.033 (4) | 0.024 (5) | −0.009 (4) | 0.002 (4) | 0.002 (4) |
C52 | 0.024 (5) | 0.019 (4) | 0.018 (5) | −0.003 (3) | −0.003 (4) | −0.003 (3) |
C53 | 0.017 (5) | 0.022 (4) | 0.024 (5) | −0.001 (3) | 0.006 (4) | 0.002 (3) |
C54 | 0.028 (6) | 0.035 (5) | 0.042 (6) | −0.003 (4) | 0.003 (5) | 0.001 (4) |
C55 | 0.029 (6) | 0.058 (6) | 0.031 (6) | 0.002 (5) | 0.007 (5) | 0.006 (5) |
C56 | 0.035 (6) | 0.053 (6) | 0.035 (6) | 0.015 (5) | 0.003 (5) | 0.023 (5) |
C57 | 0.055 (7) | 0.036 (5) | 0.037 (6) | 0.011 (5) | −0.014 (5) | −0.006 (4) |
C58 | 0.053 (7) | 0.027 (5) | 0.030 (6) | 0.002 (4) | −0.005 (5) | 0.003 (4) |
C59 | 0.033 (6) | 0.010 (3) | 0.026 (5) | 0.004 (3) | 0.009 (4) | 0.002 (3) |
C60 | 0.025 (5) | 0.041 (5) | 0.028 (5) | 0.004 (4) | 0.000 (4) | −0.007 (4) |
C61 | 0.013 (5) | 0.048 (6) | 0.065 (8) | 0.000 (4) | −0.007 (5) | −0.015 (5) |
C62 | 0.051 (7) | 0.030 (5) | 0.033 (6) | 0.008 (5) | −0.012 (5) | −0.007 (4) |
C63 | 0.067 (8) | 0.035 (5) | 0.014 (5) | −0.013 (5) | −0.004 (5) | −0.005 (4) |
C64 | 0.052 (7) | 0.023 (4) | 0.024 (5) | −0.008 (4) | 0.000 (5) | −0.006 (4) |
C65 | 0.009 (4) | 0.020 (4) | 0.026 (5) | −0.008 (3) | 0.000 (3) | −0.005 (3) |
C66 | 0.018 (5) | 0.033 (4) | 0.032 (5) | 0.000 (4) | 0.008 (4) | 0.004 (4) |
C67 | 0.044 (6) | 0.037 (5) | 0.030 (6) | 0.010 (4) | 0.004 (5) | 0.012 (4) |
C68 | 0.022 (5) | 0.048 (6) | 0.037 (6) | 0.002 (4) | −0.010 (5) | 0.012 (5) |
C69 | 0.025 (6) | 0.051 (6) | 0.061 (8) | 0.010 (5) | 0.002 (5) | 0.010 (5) |
C70 | 0.035 (6) | 0.037 (5) | 0.027 (5) | −0.001 (4) | 0.004 (4) | 0.001 (4) |
C71 | 0.019 (4) | 0.019 (4) | 0.014 (4) | 0.005 (3) | −0.002 (3) | 0.002 (3) |
C72 | 0.026 (5) | 0.028 (4) | 0.020 (5) | −0.003 (4) | 0.002 (4) | 0.001 (3) |
C73 | 0.028 (5) | 0.023 (4) | 0.031 (6) | 0.001 (4) | 0.002 (4) | −0.006 (4) |
C74 | 0.022 (5) | 0.020 (4) | 0.026 (5) | −0.003 (3) | 0.002 (4) | 0.004 (3) |
C75 | 0.031 (5) | 0.029 (4) | 0.016 (5) | −0.002 (4) | 0.000 (4) | 0.002 (4) |
C76 | 0.022 (5) | 0.019 (4) | 0.026 (5) | 0.005 (3) | 0.005 (4) | −0.002 (4) |
C77 | 0.024 (5) | 0.020 (4) | 0.010 (4) | −0.002 (3) | 0.002 (4) | 0.004 (3) |
C78 | 0.019 (5) | 0.025 (4) | 0.041 (6) | 0.003 (3) | 0.004 (4) | −0.005 (4) |
C79 | 0.020 (5) | 0.036 (5) | 0.023 (5) | 0.001 (4) | −0.003 (4) | −0.007 (4) |
C80 | 0.038 (6) | 0.034 (5) | 0.021 (5) | −0.010 (4) | 0.005 (4) | −0.006 (4) |
C81 | 0.033 (6) | 0.029 (4) | 0.032 (6) | 0.005 (4) | 0.008 (4) | −0.003 (4) |
C82 | 0.024 (5) | 0.027 (4) | 0.020 (5) | 0.000 (4) | 0.004 (4) | 0.000 (4) |
C83 | 0.018 (5) | 0.029 (4) | 0.031 (6) | −0.004 (3) | 0.007 (4) | 0.001 (4) |
C84 | 0.012 (4) | 0.023 (4) | 0.028 (5) | 0.002 (3) | −0.003 (4) | −0.003 (3) |
C85 | 0.023 (5) | 0.020 (4) | 0.035 (5) | −0.001 (3) | −0.005 (4) | −0.002 (4) |
C86 | 0.017 (5) | 0.034 (5) | 0.034 (6) | 0.003 (4) | −0.005 (4) | −0.009 (4) |
C87 | 0.016 (5) | 0.024 (4) | 0.042 (6) | 0.001 (3) | −0.010 (4) | −0.005 (4) |
C88 | 0.032 (6) | 0.022 (4) | 0.034 (6) | 0.003 (4) | −0.008 (4) | 0.006 (4) |
C89 | 0.027 (5) | 0.029 (4) | 0.025 (5) | −0.008 (4) | −0.007 (4) | 0.000 (4) |
C90 | 0.032 (6) | 0.035 (5) | 0.038 (6) | 0.004 (4) | 0.005 (5) | 0.006 (4) |
C91 | 0.024 (5) | 0.021 (4) | 0.070 (8) | 0.000 (4) | −0.005 (5) | −0.011 (4) |
C92 | 0.039 (6) | 0.028 (5) | 0.041 (6) | −0.008 (4) | 0.011 (5) | 0.001 (4) |
Au1 | 0.02401 (17) | 0.02290 (16) | 0.02517 (17) | −0.00147 (14) | 0.00511 (13) | −0.00087 (15) |
Au2 | 0.02475 (17) | 0.02023 (15) | 0.02442 (17) | −0.00101 (14) | 0.00715 (13) | −0.00076 (14) |
P1 | 0.0180 (11) | 0.0210 (11) | 0.0233 (11) | −0.0001 (8) | 0.0029 (9) | −0.0029 (8) |
P2 | 0.0211 (13) | 0.0207 (10) | 0.0229 (13) | 0.0002 (9) | 0.0003 (10) | −0.0016 (9) |
P3 | 0.0185 (12) | 0.0184 (10) | 0.0186 (12) | 0.0003 (8) | 0.0037 (9) | −0.0012 (8) |
P4 | 0.0178 (9) | 0.0183 (9) | 0.0180 (9) | 0.0000 (10) | −0.0011 (7) | −0.0007 (10) |
S1 | 0.0253 (13) | 0.0277 (11) | 0.0201 (12) | 0.0043 (9) | −0.0005 (10) | 0.0005 (9) |
S2 | 0.0273 (13) | 0.0212 (10) | 0.0265 (13) | 0.0074 (9) | −0.0084 (10) | −0.0019 (9) |
S3 | 0.0305 (14) | 0.0192 (10) | 0.0286 (14) | 0.0043 (9) | −0.0068 (11) | 0.0004 (9) |
S4 | 0.0245 (13) | 0.0278 (11) | 0.0285 (13) | 0.0005 (9) | 0.0011 (10) | 0.0032 (9) |
C1—C6 | 1.365 (11) | C48—H48 | 0.95 |
C1—C2 | 1.403 (11) | C49—C50 | 1.371 (12) |
C1—P1 | 1.828 (8) | C49—H49 | 0.95 |
C2—C3 | 1.400 (11) | C50—C51 | 1.346 (11) |
C2—H2 | 0.95 | C50—H50 | 0.95 |
C3—C4 | 1.380 (13) | C51—C52 | 1.384 (11) |
C3—H3 | 0.95 | C51—H51 | 0.95 |
C4—C5 | 1.365 (13) | C52—H52 | 0.95 |
C4—H4 | 0.95 | C53—C58 | 1.363 (11) |
C5—C6 | 1.380 (13) | C53—C54 | 1.388 (13) |
C5—H5 | 0.95 | C53—P3 | 1.843 (9) |
C6—H6 | 0.95 | C54—C55 | 1.368 (13) |
C7—C8 | 1.374 (10) | C54—H54 | 0.95 |
C7—C12 | 1.403 (10) | C55—C56 | 1.388 (13) |
C7—P1 | 1.822 (8) | C55—H55 | 0.95 |
C8—C9 | 1.393 (12) | C56—C57 | 1.352 (14) |
C8—H8 | 0.95 | C56—H56 | 0.95 |
C9—C10 | 1.376 (13) | C57—C58 | 1.390 (13) |
C9—H9 | 0.95 | C57—H57 | 0.95 |
C10—C11 | 1.393 (12) | C58—H58 | 0.95 |
C10—H10 | 0.95 | C59—C60 | 1.382 (12) |
C11—C12 | 1.383 (11) | C59—C64 | 1.388 (12) |
C11—H11 | 0.95 | C59—P3 | 1.831 (9) |
C12—H12 | 0.95 | C60—C61 | 1.387 (13) |
C13—C14 | 1.381 (11) | C60—H60 | 0.95 |
C13—C18 | 1.391 (11) | C61—C62 | 1.373 (14) |
C13—P1 | 1.826 (8) | C61—H61 | 0.95 |
C14—C15 | 1.383 (12) | C62—C63 | 1.355 (14) |
C14—H14 | 0.95 | C62—H62 | 0.95 |
C15—C16 | 1.379 (13) | C63—C64 | 1.381 (12) |
C15—H15 | 0.95 | C63—H63 | 0.95 |
C16—C17 | 1.386 (13) | C64—H64 | 0.95 |
C16—H16 | 0.95 | C65—C70 | 1.386 (11) |
C17—C18 | 1.390 (11) | C65—C66 | 1.401 (11) |
C17—H17 | 0.95 | C65—P4 | 1.834 (8) |
C18—H18 | 0.95 | C66—C67 | 1.373 (12) |
C19—C20 | 1.394 (12) | C66—H66 | 0.95 |
C19—C24 | 1.401 (12) | C67—C68 | 1.391 (13) |
C19—P2 | 1.823 (9) | C67—H67 | 0.95 |
C20—C21 | 1.383 (13) | C68—C69 | 1.368 (13) |
C20—H20 | 0.95 | C68—H68 | 0.95 |
C21—C22 | 1.372 (14) | C69—C70 | 1.387 (13) |
C21—H21 | 0.95 | C69—H69 | 0.95 |
C22—C23 | 1.388 (14) | C70—H70 | 0.95 |
C22—H22 | 0.95 | C71—C76 | 1.384 (12) |
C23—C24 | 1.387 (13) | C71—C72 | 1.390 (11) |
C23—H23 | 0.95 | C71—P4 | 1.828 (8) |
C24—H24 | 0.95 | C72—C73 | 1.367 (11) |
C25—C26 | 1.379 (12) | C72—H72 | 0.95 |
C25—C30 | 1.380 (14) | C73—C74 | 1.374 (12) |
C25—P2 | 1.832 (8) | C73—H73 | 0.95 |
C26—C27 | 1.394 (13) | C74—C75 | 1.399 (11) |
C26—H26 | 0.95 | C74—H74 | 0.95 |
C27—C28 | 1.359 (14) | C75—C76 | 1.389 (11) |
C27—H27 | 0.95 | C75—H75 | 0.95 |
C28—C29 | 1.355 (15) | C76—H76 | 0.95 |
C28—H28 | 0.95 | C77—C82 | 1.375 (11) |
C29—C30 | 1.382 (15) | C77—C78 | 1.403 (11) |
C29—H29 | 0.95 | C77—P4 | 1.836 (8) |
C30—H30 | 0.95 | C78—C79 | 1.364 (11) |
C31—C32 | 1.379 (11) | C78—H78 | 0.95 |
C31—C36 | 1.394 (12) | C79—C80 | 1.376 (11) |
C31—P2 | 1.826 (8) | C79—H79 | 0.95 |
C32—C33 | 1.389 (11) | C80—C81 | 1.378 (13) |
C32—H32 | 0.95 | C80—H80 | 0.95 |
C33—C34 | 1.379 (12) | C81—C82 | 1.393 (12) |
C33—H33 | 0.95 | C81—H81 | 0.95 |
C34—C35 | 1.392 (12) | C82—H82 | 0.95 |
C34—H34 | 0.95 | C83—C84 | 1.501 (11) |
C35—C36 | 1.378 (11) | C83—S4 | 1.673 (9) |
C35—H35 | 0.95 | C83—S3 | 1.693 (10) |
C36—H36 | 0.95 | C84—C85 | 1.383 (11) |
C37—C38 | 1.497 (11) | C84—C89 | 1.410 (11) |
C37—S1 | 1.666 (9) | C85—C86 | 1.395 (11) |
C37—S2 | 1.703 (9) | C85—C90 | 1.507 (12) |
C38—C39 | 1.376 (12) | C86—C87 | 1.391 (12) |
C38—C43 | 1.409 (11) | C86—H86 | 0.95 |
C39—C40 | 1.409 (11) | C87—C88 | 1.384 (12) |
C39—C44 | 1.506 (11) | C87—C91 | 1.500 (11) |
C40—C41 | 1.369 (12) | C88—C89 | 1.394 (11) |
C40—H40 | 0.95 | C88—H88 | 0.95 |
C41—C42 | 1.375 (13) | C89—C92 | 1.498 (12) |
C41—C45 | 1.514 (11) | C90—H90A | 0.98 |
C42—C43 | 1.392 (12) | C90—H90B | 0.98 |
C42—H42 | 0.95 | C90—H90C | 0.98 |
C43—C46 | 1.502 (12) | C91—H91A | 0.98 |
C44—H44A | 0.98 | C91—H91B | 0.98 |
C44—H44B | 0.98 | C91—H91C | 0.98 |
C44—H44C | 0.98 | C92—H92A | 0.98 |
C45—H45A | 0.98 | C92—H92B | 0.98 |
C45—H45B | 0.98 | C92—H92C | 0.98 |
C45—H45C | 0.98 | Au1—P1 | 2.314 (2) |
C46—H46A | 0.98 | Au1—P2 | 2.338 (2) |
C46—H46B | 0.98 | Au1—S2 | 2.602 (2) |
C46—H46C | 0.98 | Au1—S1 | 2.862 (2) |
C47—C48 | 1.372 (11) | Au2—P3 | 2.323 (2) |
C47—C52 | 1.384 (11) | Au2—P4 | 2.340 (2) |
C47—P3 | 1.839 (8) | Au2—S3 | 2.592 (2) |
C48—C49 | 1.391 (10) | Au2—S4 | 2.910 (2) |
C6—C1—C2 | 118.4 (8) | C54—C53—P3 | 117.1 (6) |
C6—C1—P1 | 119.1 (7) | C55—C54—C53 | 119.9 (9) |
C2—C1—P1 | 122.3 (6) | C55—C54—H54 | 120.1 |
C3—C2—C1 | 120.6 (9) | C53—C54—H54 | 120.1 |
C3—C2—H2 | 119.7 | C54—C55—C56 | 120.7 (10) |
C1—C2—H2 | 119.7 | C54—C55—H55 | 119.7 |
C4—C3—C2 | 119.1 (9) | C56—C55—H55 | 119.7 |
C4—C3—H3 | 120.4 | C57—C56—C55 | 118.7 (9) |
C2—C3—H3 | 120.4 | C57—C56—H56 | 120.7 |
C5—C4—C3 | 119.8 (9) | C55—C56—H56 | 120.7 |
C5—C4—H4 | 120.1 | C56—C57—C58 | 121.5 (9) |
C3—C4—H4 | 120.1 | C56—C57—H57 | 119.2 |
C4—C5—C6 | 121.2 (9) | C58—C57—H57 | 119.2 |
C4—C5—H5 | 119.4 | C53—C58—C57 | 119.5 (9) |
C6—C5—H5 | 119.4 | C53—C58—H58 | 120.3 |
C1—C6—C5 | 120.7 (9) | C57—C58—H58 | 120.3 |
C1—C6—H6 | 119.6 | C60—C59—C64 | 118.0 (9) |
C5—C6—H6 | 119.6 | C60—C59—P3 | 123.9 (7) |
C8—C7—C12 | 119.4 (7) | C64—C59—P3 | 118.0 (7) |
C8—C7—P1 | 123.1 (7) | C59—C60—C61 | 120.8 (9) |
C12—C7—P1 | 117.5 (5) | C59—C60—H60 | 119.6 |
C7—C8—C9 | 121.3 (8) | C61—C60—H60 | 119.6 |
C7—C8—H8 | 119.4 | C62—C61—C60 | 120.6 (9) |
C9—C8—H8 | 119.4 | C62—C61—H61 | 119.7 |
C10—C9—C8 | 119.3 (8) | C60—C61—H61 | 119.7 |
C10—C9—H9 | 120.4 | C63—C62—C61 | 118.7 (9) |
C8—C9—H9 | 120.4 | C63—C62—H62 | 120.6 |
C9—C10—C11 | 120.0 (9) | C61—C62—H62 | 120.6 |
C9—C10—H10 | 120 | C62—C63—C64 | 121.8 (9) |
C11—C10—H10 | 120 | C62—C63—H63 | 119.1 |
C12—C11—C10 | 120.6 (9) | C64—C63—H63 | 119.1 |
C12—C11—H11 | 119.7 | C63—C64—C59 | 120.1 (9) |
C10—C11—H11 | 119.7 | C63—C64—H64 | 119.9 |
C11—C12—C7 | 119.4 (8) | C59—C64—H64 | 119.9 |
C11—C12—H12 | 120.3 | C70—C65—C66 | 118.9 (8) |
C7—C12—H12 | 120.3 | C70—C65—P4 | 122.2 (7) |
C14—C13—C18 | 119.3 (7) | C66—C65—P4 | 118.9 (6) |
C14—C13—P1 | 117.1 (7) | C67—C66—C65 | 120.4 (8) |
C18—C13—P1 | 123.4 (6) | C67—C66—H66 | 119.8 |
C13—C14—C15 | 120.3 (8) | C65—C66—H66 | 119.8 |
C13—C14—H14 | 119.8 | C66—C67—C68 | 119.6 (8) |
C15—C14—H14 | 119.8 | C66—C67—H67 | 120.2 |
C16—C15—C14 | 120.7 (9) | C68—C67—H67 | 120.2 |
C16—C15—H15 | 119.7 | C69—C68—C67 | 120.7 (9) |
C14—C15—H15 | 119.7 | C69—C68—H68 | 119.6 |
C15—C16—C17 | 119.5 (8) | C67—C68—H68 | 119.6 |
C15—C16—H16 | 120.3 | C68—C69—C70 | 119.7 (9) |
C17—C16—H16 | 120.3 | C68—C69—H69 | 120.1 |
C16—C17—C18 | 120.0 (9) | C70—C69—H69 | 120.1 |
C16—C17—H17 | 120 | C65—C70—C69 | 120.6 (9) |
C18—C17—H17 | 120 | C65—C70—H70 | 119.7 |
C17—C18—C13 | 120.2 (8) | C69—C70—H70 | 119.7 |
C17—C18—H18 | 119.9 | C76—C71—C72 | 119.2 (7) |
C13—C18—H18 | 119.9 | C76—C71—P4 | 123.4 (6) |
C20—C19—C24 | 118.0 (8) | C72—C71—P4 | 117.4 (6) |
C20—C19—P2 | 118.7 (6) | C73—C72—C71 | 120.3 (8) |
C24—C19—P2 | 122.7 (7) | C73—C72—H72 | 119.9 |
C21—C20—C19 | 120.1 (9) | C71—C72—H72 | 119.9 |
C21—C20—H20 | 120 | C72—C73—C74 | 121.1 (8) |
C19—C20—H20 | 120 | C72—C73—H73 | 119.4 |
C22—C21—C20 | 121.8 (10) | C74—C73—H73 | 119.4 |
C22—C21—H21 | 119.1 | C73—C74—C75 | 119.5 (7) |
C20—C21—H21 | 119.1 | C73—C74—H74 | 120.2 |
C21—C22—C23 | 119.0 (9) | C75—C74—H74 | 120.2 |
C21—C22—H22 | 120.5 | C76—C75—C74 | 119.3 (8) |
C23—C22—H22 | 120.5 | C76—C75—H75 | 120.4 |
C24—C23—C22 | 119.8 (9) | C74—C75—H75 | 120.4 |
C24—C23—H23 | 120.1 | C71—C76—C75 | 120.6 (8) |
C22—C23—H23 | 120.1 | C71—C76—H76 | 119.7 |
C23—C24—C19 | 121.2 (9) | C75—C76—H76 | 119.7 |
C23—C24—H24 | 119.4 | C82—C77—C78 | 118.9 (8) |
C19—C24—H24 | 119.4 | C82—C77—P4 | 124.0 (7) |
C26—C25—C30 | 117.5 (9) | C78—C77—P4 | 117.1 (6) |
C26—C25—P2 | 124.7 (7) | C79—C78—C77 | 120.5 (7) |
C30—C25—P2 | 117.8 (7) | C79—C78—H78 | 119.8 |
C25—C26—C27 | 120.9 (9) | C77—C78—H78 | 119.8 |
C25—C26—H26 | 119.6 | C78—C79—C80 | 120.7 (8) |
C27—C26—H26 | 119.6 | C78—C79—H79 | 119.6 |
C28—C27—C26 | 120.3 (9) | C80—C79—H79 | 119.6 |
C28—C27—H27 | 119.9 | C79—C80—C81 | 119.4 (8) |
C26—C27—H27 | 119.9 | C79—C80—H80 | 120.3 |
C29—C28—C27 | 119.4 (10) | C81—C80—H80 | 120.3 |
C29—C28—H28 | 120.3 | C80—C81—C82 | 120.4 (8) |
C27—C28—H28 | 120.3 | C80—C81—H81 | 119.8 |
C28—C29—C30 | 120.9 (11) | C82—C81—H81 | 119.8 |
C28—C29—H29 | 119.6 | C77—C82—C81 | 120.0 (8) |
C30—C29—H29 | 119.6 | C77—C82—H82 | 120 |
C25—C30—C29 | 120.9 (10) | C81—C82—H82 | 120 |
C25—C30—H30 | 119.5 | C84—C83—S4 | 120.9 (7) |
C29—C30—H30 | 119.5 | C84—C83—S3 | 118.1 (6) |
C32—C31—C36 | 118.3 (8) | S4—C83—S3 | 121.0 (5) |
C32—C31—P2 | 122.6 (7) | C85—C84—C89 | 120.4 (7) |
C36—C31—P2 | 119.1 (6) | C85—C84—C83 | 121.1 (7) |
C31—C32—C33 | 121.4 (8) | C89—C84—C83 | 118.5 (7) |
C31—C32—H32 | 119.3 | C84—C85—C86 | 118.6 (8) |
C33—C32—H32 | 119.3 | C84—C85—C90 | 121.8 (7) |
C34—C33—C32 | 119.2 (8) | C86—C85—C90 | 119.5 (8) |
C34—C33—H33 | 120.4 | C87—C86—C85 | 122.8 (8) |
C32—C33—H33 | 120.4 | C87—C86—H86 | 118.6 |
C33—C34—C35 | 120.5 (8) | C85—C86—H86 | 118.6 |
C33—C34—H34 | 119.8 | C88—C87—C86 | 117.2 (7) |
C35—C34—H34 | 119.8 | C88—C87—C91 | 120.5 (8) |
C36—C35—C34 | 119.2 (9) | C86—C87—C91 | 122.3 (8) |
C36—C35—H35 | 120.4 | C87—C88—C89 | 122.3 (8) |
C34—C35—H35 | 120.4 | C87—C88—H88 | 118.8 |
C35—C36—C31 | 121.3 (8) | C89—C88—H88 | 118.8 |
C35—C36—H36 | 119.4 | C88—C89—C84 | 118.7 (8) |
C31—C36—H36 | 119.4 | C88—C89—C92 | 120.8 (8) |
C38—C37—S1 | 120.6 (7) | C84—C89—C92 | 120.5 (7) |
C38—C37—S2 | 118.1 (6) | C85—C90—H90A | 109.5 |
S1—C37—S2 | 121.2 (5) | C85—C90—H90B | 109.5 |
C39—C38—C43 | 121.1 (7) | H90A—C90—H90B | 109.5 |
C39—C38—C37 | 120.0 (7) | C85—C90—H90C | 109.5 |
C43—C38—C37 | 118.8 (7) | H90A—C90—H90C | 109.5 |
C38—C39—C40 | 118.4 (8) | H90B—C90—H90C | 109.5 |
C38—C39—C44 | 121.8 (7) | C87—C91—H91A | 109.5 |
C40—C39—C44 | 119.8 (8) | C87—C91—H91B | 109.5 |
C41—C40—C39 | 122.4 (9) | H91A—C91—H91B | 109.5 |
C41—C40—H40 | 118.8 | C87—C91—H91C | 109.5 |
C39—C40—H40 | 118.8 | H91A—C91—H91C | 109.5 |
C40—C41—C42 | 117.5 (8) | H91B—C91—H91C | 109.5 |
C40—C41—C45 | 122.7 (9) | C89—C92—H92A | 109.5 |
C42—C41—C45 | 119.8 (9) | C89—C92—H92B | 109.5 |
C41—C42—C43 | 123.4 (8) | H92A—C92—H92B | 109.5 |
C41—C42—H42 | 118.3 | C89—C92—H92C | 109.5 |
C43—C42—H42 | 118.3 | H92A—C92—H92C | 109.5 |
C42—C43—C38 | 117.3 (8) | H92B—C92—H92C | 109.5 |
C42—C43—C46 | 120.6 (8) | P1—Au1—P2 | 137.40 (7) |
C38—C43—C46 | 122.1 (7) | P1—Au1—S2 | 113.57 (7) |
C39—C44—H44A | 109.5 | P2—Au1—S2 | 107.36 (8) |
C39—C44—H44B | 109.5 | P1—Au1—S1 | 109.74 (7) |
H44A—C44—H44B | 109.5 | P2—Au1—S1 | 97.69 (7) |
C39—C44—H44C | 109.5 | S2—Au1—S1 | 64.78 (7) |
H44A—C44—H44C | 109.5 | P3—Au2—P4 | 129.10 (8) |
H44B—C44—H44C | 109.5 | P3—Au2—S3 | 117.81 (8) |
C41—C45—H45A | 109.5 | P4—Au2—S3 | 108.63 (8) |
C41—C45—H45B | 109.5 | P3—Au2—S4 | 107.42 (7) |
H45A—C45—H45B | 109.5 | P4—Au2—S4 | 110.81 (7) |
C41—C45—H45C | 109.5 | S3—Au2—S4 | 64.05 (7) |
H45A—C45—H45C | 109.5 | C7—P1—C13 | 103.9 (4) |
H45B—C45—H45C | 109.5 | C7—P1—C1 | 104.7 (4) |
C43—C46—H46A | 109.5 | C13—P1—C1 | 103.8 (4) |
C43—C46—H46B | 109.5 | C7—P1—Au1 | 112.6 (2) |
H46A—C46—H46B | 109.5 | C13—P1—Au1 | 117.5 (3) |
C43—C46—H46C | 109.5 | C1—P1—Au1 | 113.1 (3) |
H46A—C46—H46C | 109.5 | C19—P2—C31 | 100.7 (4) |
H46B—C46—H46C | 109.5 | C19—P2—C25 | 110.1 (4) |
C48—C47—C52 | 120.0 (7) | C31—P2—C25 | 101.7 (4) |
C48—C47—P3 | 118.2 (6) | C19—P2—Au1 | 113.4 (3) |
C52—C47—P3 | 121.7 (6) | C31—P2—Au1 | 118.1 (2) |
C47—C48—C49 | 119.4 (8) | C25—P2—Au1 | 111.8 (3) |
C47—C48—H48 | 120.3 | C59—P3—C47 | 102.9 (4) |
C49—C48—H48 | 120.3 | C59—P3—C53 | 104.9 (4) |
C50—C49—C48 | 119.9 (8) | C47—P3—C53 | 102.8 (4) |
C50—C49—H49 | 120.1 | C59—P3—Au2 | 111.9 (3) |
C48—C49—H49 | 120.1 | C47—P3—Au2 | 118.2 (3) |
C51—C50—C49 | 120.9 (8) | C53—P3—Au2 | 114.6 (3) |
C51—C50—H50 | 119.6 | C71—P4—C65 | 101.6 (3) |
C49—C50—H50 | 119.6 | C71—P4—C77 | 102.5 (3) |
C50—C51—C52 | 120.2 (8) | C65—P4—C77 | 106.6 (4) |
C50—C51—H51 | 119.9 | C71—P4—Au2 | 119.0 (3) |
C52—C51—H51 | 119.9 | C65—P4—Au2 | 114.0 (3) |
C47—C52—C51 | 119.7 (8) | C77—P4—Au2 | 111.8 (3) |
C47—C52—H52 | 120.2 | C37—S1—Au1 | 83.0 (3) |
C51—C52—H52 | 120.2 | C37—S2—Au1 | 90.9 (3) |
C58—C53—C54 | 119.7 (8) | C83—S3—Au2 | 92.6 (3) |
C58—C53—P3 | 123.1 (7) | C83—S4—Au2 | 82.4 (3) |
C6—C1—C2—C3 | −2.6 (12) | C85—C84—C89—C88 | 0.3 (13) |
P1—C1—C2—C3 | −177.2 (6) | C83—C84—C89—C88 | −178.1 (8) |
C1—C2—C3—C4 | 1.5 (13) | C85—C84—C89—C92 | 179.7 (8) |
C2—C3—C4—C5 | 0.6 (14) | C83—C84—C89—C92 | 1.2 (13) |
C3—C4—C5—C6 | −1.7 (16) | C8—C7—P1—C13 | 106.8 (7) |
C2—C1—C6—C5 | 1.6 (15) | C12—C7—P1—C13 | −72.2 (6) |
P1—C1—C6—C5 | 176.4 (8) | C8—C7—P1—C1 | −1.7 (8) |
C4—C5—C6—C1 | 0.5 (17) | C12—C7—P1—C1 | 179.2 (6) |
C12—C7—C8—C9 | 0.3 (12) | C8—C7—P1—Au1 | −125.0 (6) |
P1—C7—C8—C9 | −178.7 (7) | C12—C7—P1—Au1 | 55.9 (6) |
C7—C8—C9—C10 | 1.3 (14) | C14—C13—P1—C7 | 172.1 (7) |
C8—C9—C10—C11 | −2.4 (14) | C18—C13—P1—C7 | −13.2 (8) |
C9—C10—C11—C12 | 2.0 (13) | C14—C13—P1—C1 | −78.6 (7) |
C10—C11—C12—C7 | −0.3 (13) | C18—C13—P1—C1 | 96.0 (7) |
C8—C7—C12—C11 | −0.8 (12) | C14—C13—P1—Au1 | 47.0 (7) |
P1—C7—C12—C11 | 178.3 (6) | C18—C13—P1—Au1 | −138.3 (6) |
C18—C13—C14—C15 | 1.6 (13) | C6—C1—P1—C7 | −79.8 (8) |
P1—C13—C14—C15 | 176.5 (7) | C2—C1—P1—C7 | 94.8 (7) |
C13—C14—C15—C16 | −0.5 (15) | C6—C1—P1—C13 | 171.5 (8) |
C14—C15—C16—C17 | 0.8 (15) | C2—C1—P1—C13 | −13.9 (8) |
C15—C16—C17—C18 | −2.1 (14) | C6—C1—P1—Au1 | 43.1 (8) |
C16—C17—C18—C13 | 3.2 (13) | C2—C1—P1—Au1 | −142.2 (6) |
C14—C13—C18—C17 | −3.0 (12) | P2—Au1—P1—C7 | 65.0 (3) |
P1—C13—C18—C17 | −177.5 (7) | S2—Au1—P1—C7 | −97.8 (3) |
C24—C19—C20—C21 | 0.4 (12) | S1—Au1—P1—C7 | −168.1 (3) |
P2—C19—C20—C21 | −170.5 (7) | P2—Au1—P1—C13 | −174.4 (3) |
C19—C20—C21—C22 | −1.4 (13) | S2—Au1—P1—C13 | 22.8 (3) |
C20—C21—C22—C23 | 0.2 (14) | S1—Au1—P1—C13 | −47.5 (3) |
C21—C22—C23—C24 | 2.0 (14) | P2—Au1—P1—C1 | −53.5 (3) |
C22—C23—C24—C19 | −3.0 (14) | S2—Au1—P1—C1 | 143.7 (3) |
C20—C19—C24—C23 | 1.8 (13) | S1—Au1—P1—C1 | 73.4 (3) |
P2—C19—C24—C23 | 172.3 (7) | C20—C19—P2—C31 | 124.5 (7) |
C30—C25—C26—C27 | 3.8 (15) | C24—C19—P2—C31 | −46.0 (8) |
P2—C25—C26—C27 | −173.7 (8) | C20—C19—P2—C25 | −128.7 (7) |
C25—C26—C27—C28 | −2.2 (16) | C24—C19—P2—C25 | 60.8 (8) |
C26—C27—C28—C29 | 0.8 (17) | C20—C19—P2—Au1 | −2.6 (8) |
C27—C28—C29—C30 | −1 (2) | C24—C19—P2—Au1 | −173.1 (6) |
C26—C25—C30—C29 | −4.0 (18) | C32—C31—P2—C19 | 138.1 (6) |
P2—C25—C30—C29 | 173.6 (11) | C36—C31—P2—C19 | −43.8 (7) |
C28—C29—C30—C25 | 3 (2) | C32—C31—P2—C25 | 24.8 (7) |
C36—C31—C32—C33 | 2.6 (11) | C36—C31—P2—C25 | −157.1 (6) |
P2—C31—C32—C33 | −179.3 (6) | C32—C31—P2—Au1 | −97.9 (6) |
C31—C32—C33—C34 | 1.0 (12) | C36—C31—P2—Au1 | 80.2 (7) |
C32—C33—C34—C35 | −3.3 (12) | C26—C25—P2—C19 | −36.2 (10) |
C33—C34—C35—C36 | 2.1 (12) | C30—C25—P2—C19 | 146.3 (9) |
C34—C35—C36—C31 | 1.6 (12) | C26—C25—P2—C31 | 69.9 (9) |
C32—C31—C36—C35 | −3.9 (11) | C30—C25—P2—C31 | −107.5 (9) |
P2—C31—C36—C35 | 178.0 (6) | C26—C25—P2—Au1 | −163.2 (7) |
S1—C37—C38—C39 | −101.3 (9) | C30—C25—P2—Au1 | 19.4 (9) |
S2—C37—C38—C39 | 81.1 (9) | P1—Au1—P2—C19 | −65.7 (3) |
S1—C37—C38—C43 | 81.8 (9) | S2—Au1—P2—C19 | 97.8 (3) |
S2—C37—C38—C43 | −95.8 (8) | S1—Au1—P2—C19 | 163.7 (3) |
C43—C38—C39—C40 | −1.8 (13) | P1—Au1—P2—C31 | 176.9 (3) |
C37—C38—C39—C40 | −178.6 (8) | S2—Au1—P2—C31 | −19.6 (3) |
C43—C38—C39—C44 | 178.0 (8) | S1—Au1—P2—C31 | 46.3 (3) |
C37—C38—C39—C44 | 1.2 (12) | P1—Au1—P2—C25 | 59.4 (3) |
C38—C39—C40—C41 | 2.4 (13) | S2—Au1—P2—C25 | −137.1 (3) |
C44—C39—C40—C41 | −177.3 (8) | S1—Au1—P2—C25 | −71.2 (3) |
C39—C40—C41—C42 | −1.3 (14) | C60—C59—P3—C47 | 17.1 (8) |
C39—C40—C41—C45 | 176.8 (9) | C64—C59—P3—C47 | −159.2 (7) |
C40—C41—C42—C43 | −0.5 (14) | C60—C59—P3—C53 | −90.2 (8) |
C45—C41—C42—C43 | −178.6 (8) | C64—C59—P3—C53 | 93.6 (7) |
C41—C42—C43—C38 | 1.0 (13) | C60—C59—P3—Au2 | 145.0 (6) |
C41—C42—C43—C46 | 178.6 (9) | C64—C59—P3—Au2 | −31.2 (7) |
C39—C38—C43—C42 | 0.1 (12) | C48—C47—P3—C59 | 91.6 (7) |
C37—C38—C43—C42 | 177.0 (8) | C52—C47—P3—C59 | −85.2 (7) |
C39—C38—C43—C46 | −177.4 (8) | C48—C47—P3—C53 | −159.6 (7) |
C37—C38—C43—C46 | −0.6 (12) | C52—C47—P3—C53 | 23.6 (8) |
C52—C47—C48—C49 | 0.0 (12) | C48—C47—P3—Au2 | −32.3 (8) |
P3—C47—C48—C49 | −176.9 (6) | C52—C47—P3—Au2 | 150.9 (6) |
C47—C48—C49—C50 | −1.2 (13) | C58—C53—P3—C59 | −0.7 (9) |
C48—C49—C50—C51 | 1.0 (14) | C54—C53—P3—C59 | −179.0 (7) |
C49—C50—C51—C52 | 0.5 (13) | C58—C53—P3—C47 | −108.1 (8) |
C48—C47—C52—C51 | 1.5 (12) | C54—C53—P3—C47 | 73.7 (7) |
P3—C47—C52—C51 | 178.2 (6) | C58—C53—P3—Au2 | 122.4 (7) |
C50—C51—C52—C47 | −1.7 (12) | C54—C53—P3—Au2 | −55.8 (7) |
C58—C53—C54—C55 | 2.5 (14) | P4—Au2—P3—C59 | 65.3 (3) |
P3—C53—C54—C55 | −179.3 (7) | S3—Au2—P3—C59 | −88.1 (3) |
C53—C54—C55—C56 | −2.1 (14) | S4—Au2—P3—C59 | −157.5 (3) |
C54—C55—C56—C57 | 1.2 (15) | P4—Au2—P3—C47 | −175.4 (3) |
C55—C56—C57—C58 | −0.7 (16) | S3—Au2—P3—C47 | 31.2 (3) |
C54—C53—C58—C57 | −1.9 (14) | S4—Au2—P3—C47 | −38.2 (3) |
P3—C53—C58—C57 | 180.0 (8) | P4—Au2—P3—C53 | −54.0 (3) |
C56—C57—C58—C53 | 1.0 (16) | S3—Au2—P3—C53 | 152.6 (3) |
C64—C59—C60—C61 | 0.6 (13) | S4—Au2—P3—C53 | 83.3 (3) |
P3—C59—C60—C61 | −175.6 (7) | C76—C71—P4—C65 | −105.6 (7) |
C59—C60—C61—C62 | −0.7 (14) | C72—C71—P4—C65 | 72.7 (7) |
C60—C61—C62—C63 | 0.6 (14) | C76—C71—P4—C77 | 4.5 (8) |
C61—C62—C63—C64 | −0.4 (15) | C72—C71—P4—C77 | −177.2 (6) |
C62—C63—C64—C59 | 0.3 (15) | C76—C71—P4—Au2 | 128.3 (6) |
C60—C59—C64—C63 | −0.4 (13) | C72—C71—P4—Au2 | −53.4 (7) |
P3—C59—C64—C63 | 176.1 (7) | C70—C65—P4—C71 | 32.2 (7) |
C70—C65—C66—C67 | −0.5 (12) | C66—C65—P4—C71 | −145.1 (6) |
P4—C65—C66—C67 | 176.9 (7) | C70—C65—P4—C77 | −74.7 (7) |
C65—C66—C67—C68 | −1.1 (14) | C66—C65—P4—C77 | 107.9 (7) |
C66—C67—C68—C69 | 2.6 (15) | C70—C65—P4—Au2 | 161.4 (6) |
C67—C68—C69—C70 | −2.5 (16) | C66—C65—P4—Au2 | −15.9 (7) |
C66—C65—C70—C69 | 0.6 (13) | C82—C77—P4—C71 | −101.0 (7) |
P4—C65—C70—C69 | −176.7 (7) | C78—C77—P4—C71 | 79.7 (6) |
C68—C69—C70—C65 | 0.9 (15) | C82—C77—P4—C65 | 5.4 (8) |
C76—C71—C72—C73 | 0.2 (12) | C78—C77—P4—C65 | −173.9 (6) |
P4—C71—C72—C73 | −178.1 (6) | C82—C77—P4—Au2 | 130.6 (6) |
C71—C72—C73—C74 | 0.4 (13) | C78—C77—P4—Au2 | −48.7 (6) |
C72—C73—C74—C75 | −1.0 (13) | P3—Au2—P4—C71 | −179.6 (3) |
C73—C74—C75—C76 | 1.0 (12) | S3—Au2—P4—C71 | −24.4 (3) |
C72—C71—C76—C75 | −0.2 (12) | S4—Au2—P4—C71 | 44.2 (3) |
P4—C71—C76—C75 | 178.1 (7) | P3—Au2—P4—C65 | 60.4 (3) |
C74—C75—C76—C71 | −0.5 (13) | S3—Au2—P4—C65 | −144.3 (3) |
C82—C77—C78—C79 | 0.9 (12) | S4—Au2—P4—C65 | −75.7 (3) |
P4—C77—C78—C79 | −179.7 (6) | P3—Au2—P4—C77 | −60.5 (3) |
C77—C78—C79—C80 | −0.2 (13) | S3—Au2—P4—C77 | 94.8 (3) |
C78—C79—C80—C81 | 0.7 (13) | S4—Au2—P4—C77 | 163.3 (3) |
C79—C80—C81—C82 | −1.9 (13) | C38—C37—S1—Au1 | 180.0 (7) |
C78—C77—C82—C81 | −2.1 (12) | S2—C37—S1—Au1 | −2.5 (5) |
P4—C77—C82—C81 | 178.6 (6) | P1—Au1—S1—C37 | 109.0 (3) |
C80—C81—C82—C77 | 2.6 (13) | P2—Au1—S1—C37 | −104.1 (3) |
S4—C83—C84—C85 | 81.8 (10) | S2—Au1—S1—C37 | 1.5 (3) |
S3—C83—C84—C85 | −98.1 (9) | C38—C37—S2—Au1 | −179.7 (6) |
S4—C83—C84—C89 | −99.8 (9) | S1—C37—S2—Au1 | 2.7 (5) |
S3—C83—C84—C89 | 80.3 (9) | P1—Au1—S2—C37 | −103.1 (3) |
C89—C84—C85—C86 | 0.2 (13) | P2—Au1—S2—C37 | 89.0 (3) |
C83—C84—C85—C86 | 178.6 (8) | S1—Au1—S2—C37 | −1.5 (3) |
C89—C84—C85—C90 | 179.5 (8) | C84—C83—S3—Au2 | −179.6 (6) |
C83—C84—C85—C90 | −2.1 (13) | S4—C83—S3—Au2 | 0.5 (5) |
C84—C85—C86—C87 | −0.7 (13) | P3—Au2—S3—C83 | −97.2 (3) |
C90—C85—C86—C87 | 179.9 (8) | P4—Au2—S3—C83 | 104.4 (3) |
C85—C86—C87—C88 | 0.7 (13) | S4—Au2—S3—C83 | −0.3 (3) |
C85—C86—C87—C91 | 179.6 (9) | C84—C83—S4—Au2 | 179.7 (7) |
C86—C87—C88—C89 | −0.2 (13) | S3—C83—S4—Au2 | −0.5 (5) |
C91—C87—C88—C89 | −179.1 (8) | P3—Au2—S4—C83 | 113.3 (3) |
C87—C88—C89—C84 | −0.3 (13) | P4—Au2—S4—C83 | −101.0 (3) |
C87—C88—C89—C92 | −179.6 (9) | S3—Au2—S4—C83 | 0.3 (3) |