(4,6-Dimercapto-1,3,5-triazine-2-thiol­ato-S²)­tris­(tri­phenyl­phosphine-P)gold(I) di­methyl­form­amide solvate

In the title compound, [Au(C₃H₂N₃S₃)(C₁₈H₁₅P)₃]·C₃H₇NO, the Au^I atom has a distorted tetrahedral geometry consisting of one uncoordinated di­methyl­form­amide mol­ecule, one tri­thio­cyanurate ligand and three PPh₃ ligands. The S-Au distance is 2.909 (2) Å, and the P-Au distances fall in the range 2.400 (14)-2.4074 (13) Å. The S-Au-P angles are 92.81 (6), 99.17 (6) and 104.21 (5)°, and the P-Au-P angles are 114.46 (5), 119.04 (5) and 119.66 (5)°.

S1. Comment

There has been growing interest in the study of Cu^I, Ag^I and Au^I complexes, and in particular polynuclear systems; this stems from the tendency of these metal ions to form clusters and aggregates as a result of weak metal–metal interactions (Mingos, 1976; Schmidbaur, 1995) and the recent demonstration that a number of these aggregates exhibit rich luminescence behaviour (Vickery et al., 1997; Yam et al., 1999). Till now, Au^I–sulfido complexes are comparatively rare (Canales et al., 1994). Recently, an interesting example was found in studies of trigold(I) complexes of trithiocyanuric acid, in which an unexpected reaction led to formation of an interesting sheet structure through multiple intermolecular Au···Au-bonded self-assembly (William et al., 1999). Also by use of Au^I, PPh₃ and trithiocyanuric acid, we obtained a different product, (4,6-Dimercapto-1,3,5-triazine-2-thiolato-S²)tris(triphenylphosphine- P)gold(I) dimethylformamide (DMF) solvate, (I), including a DMF molecule, one Au^I atom, one trithiocyanurate ligand and three PPh₃ ligands. In the crystal structure, only one thiolate of the trithiocyanuric acid has been coordinated to the Au^I atom and each Au^I is coordinated by one thiolate group of the trithiocyanurate ligand and three P atoms of the PPh₃ groups, giving a tetrahedral coordination. The S—Au distance is 2.909 (2) Å, which is much longer than the normal S—Au distance. and the P—Au distances fall in the range 2.400 (14)–2.4074 (13) Å. The S—Au—P angles are 92.81 (6), 99.17 (6) and 104.21 (5)°, and the P—Au—P angles are 114.46 (5), 119.04 (5) and 119.66 (5)°. Thus, the geometry is distorted tetrahedral.

S2. Experimental

The title compound, (I), was obtained from the reaction of trithiocyanuric acid, PPh₃ and AuCN in DMF. To a solution of trithiocyanuric acid (0.5 mmol, 0.09 g) in DMF, AuCN (20 ml, 0.5 mmol, 0.12 g) and PPh₃ (1 mmol, 0.26 g) were added. After stirring for 2 h, the orange solution was filtered. Ether was diffused slowly into the filtrate solution. A week later, crystals suitable for X-ray diffraction analysis were obtained.

Computing details

Data collection: SMART (Siemens, 1994); cell refinement: SMART; data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; software used to prepare material for publication: SHELXTL.

(4,6-Dimercapto-1,3,5-triazine-2-thiolato-S²)tris(triphenylphosphine-P)gold(I) dimethylformamide solvate

Crystal data

[Au(C3H2N3S3)(C18H15P)3]·C3H7NO	Z = 2
Mr = 1233.13	F(000) = 1244
Triclinic, P1	Dx = 1.501 Mg m^−3
a = 13.7053 (12) Å	Mo Kα radiation, λ = 0.71073 Å
b = 13.9751 (12) Å	Cell parameters from 925 reflections
c = 14.4614 (12) Å	θ = 11.6–18.9°
α = 80.665 (2)°	µ = 2.94 mm^−1
β = 87.283 (2)°	T = 293 K
γ = 87.942 (2)°	Block, colourless
V = 2729.0 (4) Å^3	0.25 × 0.22 × 0.20 mm

Data collection

SMART CCD diffractometer	12409 independent reflections
Radiation source: fine-focus sealed tube	9513 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.035
ω scans	θmax = 27.6°, θmin = 1.4°
Absorption correction: multi-scan (XEMP in SHELXTL; Sheldrick, 1997)	h = −17→17
Tmin = 0.420, Tmax = 0.555	k = −18→12
18651 measured reflections	l = −18→18

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.045	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.113	H-atom parameters constrained
S = 0.97	w = 1/[σ^2(Fo^2) + (0.0602P)^2] where P = (Fo^2 + 2Fc^2)/3
12409 reflections	(Δ/σ)max = 0.002
624 parameters	Δρmax = 1.19 e Å^−3
0 restraints	Δρmin = −0.81 e Å^−3

Special details

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Au1	0.758349 (14)	0.720592 (14)	0.700791 (13)	0.03737 (7)
S1	0.69257 (16)	0.65994 (12)	0.89500 (11)	0.0708 (5)
S2	0.43406 (14)	0.88052 (15)	1.04915 (14)	0.0764 (5)
S3	0.80338 (14)	0.89662 (16)	1.12055 (13)	0.0766 (5)
P1	0.65311 (9)	0.62529 (9)	0.62642 (9)	0.0361 (3)
P2	0.73501 (9)	0.89428 (9)	0.67594 (8)	0.0334 (3)
P3	0.92369 (9)	0.66468 (9)	0.73056 (9)	0.0352 (3)
N1	0.6261 (4)	0.8818 (4)	1.0681 (3)	0.0597 (13)
N2	0.7437 (4)	0.7805 (4)	1.0084 (3)	0.0569 (12)
N3	0.5755 (4)	0.7722 (4)	0.9805 (3)	0.0580 (13)
C1	0.6713 (5)	0.7450 (4)	0.9658 (4)	0.0550 (15)
C2	0.5490 (5)	0.8435 (4)	1.0326 (4)	0.0560 (15)
C3	0.7217 (4)	0.8489 (4)	1.0615 (4)	0.0522 (14)
C11	0.6892 (4)	0.6345 (3)	0.5013 (3)	0.0375 (11)
C12	0.7881 (4)	0.6298 (4)	0.4751 (4)	0.0491 (13)
H12A	0.8339	0.6190	0.5214	0.059*
C13	0.8197 (5)	0.6409 (5)	0.3823 (4)	0.0610 (17)
H13A	0.8859	0.6350	0.3663	0.073*
C14	0.7522 (5)	0.6609 (5)	0.3132 (4)	0.0658 (18)
H14A	0.7731	0.6711	0.2503	0.079*
C15	0.6546 (5)	0.6655 (5)	0.3375 (4)	0.0663 (18)
H15A	0.6092	0.6771	0.2909	0.080*
C16	0.6229 (4)	0.6531 (4)	0.4305 (4)	0.0510 (13)
H16A	0.5564	0.6573	0.4460	0.061*
C21	0.6509 (4)	0.4947 (4)	0.6687 (4)	0.0419 (12)
C22	0.6519 (4)	0.4277 (4)	0.6084 (4)	0.0460 (12)
H22A	0.6567	0.4483	0.5439	0.055*
C23	0.6458 (5)	0.3301 (4)	0.6435 (5)	0.0628 (16)
H23A	0.6474	0.2853	0.6024	0.075*
C24	0.6373 (5)	0.2987 (5)	0.7375 (5)	0.0680 (18)
H24A	0.6338	0.2327	0.7605	0.082*
C25	0.6339 (6)	0.3641 (5)	0.7978 (5)	0.086 (2)
H25A	0.6261	0.3430	0.8620	0.103*
C26	0.6422 (6)	0.4622 (5)	0.7635 (4)	0.072 (2)
H26A	0.6420	0.5065	0.8052	0.087*
C31	0.5237 (4)	0.6600 (4)	0.6241 (3)	0.0417 (12)
C32	0.4497 (4)	0.5923 (5)	0.6408 (4)	0.0566 (15)
H32A	0.4659	0.5266	0.6564	0.068*
C33	0.3526 (4)	0.6222 (6)	0.6344 (5)	0.0683 (18)
H33A	0.3040	0.5764	0.6455	0.082*
C34	0.3272 (5)	0.7192 (6)	0.6116 (5)	0.072 (2)
H34A	0.2617	0.7390	0.6086	0.087*
C35	0.3998 (5)	0.7870 (5)	0.5933 (5)	0.0671 (17)
H35A	0.3833	0.8525	0.5774	0.081*
C36	0.4972 (4)	0.7569 (4)	0.5989 (4)	0.0558 (15)
H36A	0.5456	0.8027	0.5854	0.067*
C41	0.8048 (3)	0.9667 (3)	0.7433 (3)	0.0366 (10)
C42	0.7607 (4)	1.0058 (5)	0.8166 (4)	0.0588 (16)
H42A	0.6947	0.9959	0.8319	0.071*
C43	0.8135 (5)	1.0596 (6)	0.8678 (5)	0.073 (2)
H43A	0.7832	1.0847	0.9180	0.087*
C44	0.9107 (5)	1.0763 (5)	0.8450 (4)	0.0630 (17)
H44A	0.9457	1.1138	0.8787	0.076*
C45	0.9555 (4)	1.0377 (4)	0.7725 (4)	0.0532 (14)
H45A	1.0212	1.0486	0.7570	0.064*
C46	0.9034 (4)	0.9825 (4)	0.7223 (4)	0.0482 (13)
H46A	0.9347	0.9555	0.6737	0.058*
C51	0.6107 (4)	0.9380 (4)	0.6948 (3)	0.0402 (11)
C52	0.5489 (4)	0.8843 (5)	0.7582 (4)	0.0539 (14)
H52A	0.5698	0.8236	0.7882	0.065*
C53	0.4551 (5)	0.9191 (6)	0.7787 (4)	0.070 (2)
H53A	0.4147	0.8824	0.8233	0.085*
C54	0.4227 (5)	1.0061 (7)	0.7339 (5)	0.079 (2)
H54A	0.3597	1.0284	0.7472	0.095*
C55	0.4817 (6)	1.0614 (7)	0.6692 (6)	0.089 (2)
H55A	0.4583	1.1206	0.6380	0.107*
C56	0.5770 (5)	1.0295 (5)	0.6498 (5)	0.0681 (18)
H56A	0.6180	1.0683	0.6075	0.082*
C61	0.7681 (3)	0.9426 (3)	0.5538 (3)	0.0351 (10)
C62	0.8048 (4)	1.0347 (4)	0.5242 (4)	0.0472 (13)
H62A	0.8123	1.0764	0.5672	0.057*
C63	0.8304 (4)	1.0643 (4)	0.4285 (4)	0.0529 (14)
H63A	0.8555	1.1256	0.4087	0.063*
C64	0.8190 (4)	1.0045 (5)	0.3655 (4)	0.0542 (14)
H64A	0.8362	1.0251	0.3026	0.065*
C65	0.7824 (4)	0.9144 (4)	0.3929 (4)	0.0551 (15)
H65A	0.7745	0.8738	0.3490	0.066*
C66	0.7570 (4)	0.8837 (4)	0.4869 (4)	0.0473 (13)
H66A	0.7320	0.8223	0.5052	0.057*
C71	0.9475 (4)	0.5397 (4)	0.7855 (3)	0.0396 (11)
C72	0.9010 (6)	0.4657 (5)	0.7572 (5)	0.082 (2)
H72A	0.8540	0.4797	0.7122	0.099*
C73	0.9223 (7)	0.3698 (5)	0.7941 (6)	0.098 (3)
H73A	0.8907	0.3205	0.7725	0.118*
C74	0.9888 (6)	0.3471 (5)	0.8614 (5)	0.080 (2)
H74A	1.0033	0.2826	0.8856	0.095*
C75	1.0331 (6)	0.4189 (6)	0.8925 (6)	0.092 (3)
H75A	1.0789	0.4041	0.9386	0.111*
C76	1.0114 (5)	0.5154 (5)	0.8565 (5)	0.078 (2)
H76A	1.0406	0.5644	0.8810	0.093*
C81	0.9945 (4)	0.7358 (3)	0.7982 (3)	0.0376 (11)
C82	0.9465 (4)	0.7756 (4)	0.8713 (4)	0.0502 (13)
H82A	0.8801	0.7659	0.8843	0.060*
C83	0.9967 (5)	0.8286 (5)	0.9235 (4)	0.0650 (17)
H83A	0.9646	0.8554	0.9718	0.078*
C84	1.0931 (6)	0.8422 (5)	0.9050 (5)	0.070 (2)
H84A	1.1267	0.8785	0.9410	0.084*
C85	1.1427 (5)	0.8038 (5)	0.8347 (5)	0.0683 (19)
H85A	1.2092	0.8137	0.8233	0.082*
C86	1.0925 (4)	0.7499 (4)	0.7805 (4)	0.0523 (14)
H86A	1.1254	0.7234	0.7324	0.063*
C91	0.9932 (3)	0.6753 (4)	0.6186 (3)	0.0360 (11)
C92	0.9778 (4)	0.7586 (4)	0.5543 (4)	0.0474 (13)
H92A	0.9339	0.8064	0.5697	0.057*
C93	1.0268 (4)	0.7721 (5)	0.4670 (4)	0.0569 (15)
H93A	1.0149	0.8281	0.4243	0.068*
C94	1.1068 (5)	0.6213 (6)	0.5073 (5)	0.084 (2)
H94A	1.1502	0.5736	0.4911	0.100*
C95	1.0918 (5)	0.7038 (6)	0.4442 (5)	0.071 (2)
H95A	1.1258	0.7129	0.3864	0.086*
C96	1.0593 (5)	0.6069 (5)	0.5942 (4)	0.0651 (17)
H96A	1.0721	0.5507	0.6364	0.078*
O1	0.5867 (7)	0.3182 (8)	1.0733 (7)	0.177 (4)*
N5	0.6814 (7)	0.4348 (6)	1.0853 (6)	0.115 (3)*
C4	0.5937 (14)	0.4033 (14)	1.0957 (12)	0.218 (7)*
H4A	0.5408	0.4383	1.1171	0.262*
C5	0.6828 (11)	0.5166 (12)	1.1291 (11)	0.209 (7)*
H5A	0.6238	0.5207	1.1668	0.313*
H5B	0.6876	0.5737	1.0824	0.313*
H5C	0.7380	0.5117	1.1682	0.313*
C6	0.7652 (8)	0.4136 (9)	1.0233 (8)	0.150 (4)*
H6A	0.7521	0.3576	0.9956	0.225*
H6B	0.8228	0.4010	1.0591	0.225*
H6C	0.7753	0.4683	0.9746	0.225*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Au1	0.03814 (11)	0.03568 (11)	0.03867 (11)	−0.00120 (7)	−0.00544 (7)	−0.00597 (8)
S1	0.1250 (16)	0.0460 (9)	0.0424 (8)	−0.0118 (9)	0.0154 (9)	−0.0130 (7)
S2	0.0638 (11)	0.0846 (13)	0.0790 (12)	−0.0058 (9)	0.0142 (9)	−0.0120 (10)
S3	0.0707 (11)	0.0997 (15)	0.0691 (11)	−0.0110 (10)	−0.0039 (9)	−0.0406 (11)
P1	0.0377 (7)	0.0351 (7)	0.0371 (7)	−0.0027 (5)	−0.0045 (5)	−0.0093 (6)
P2	0.0350 (6)	0.0327 (6)	0.0333 (6)	0.0003 (5)	−0.0033 (5)	−0.0077 (5)
P3	0.0357 (6)	0.0354 (7)	0.0346 (6)	0.0003 (5)	−0.0047 (5)	−0.0056 (5)
N1	0.068 (3)	0.056 (3)	0.060 (3)	−0.003 (3)	−0.004 (3)	−0.024 (3)
N2	0.069 (3)	0.055 (3)	0.049 (3)	−0.004 (2)	0.009 (2)	−0.017 (2)
N3	0.079 (4)	0.052 (3)	0.044 (3)	−0.012 (3)	0.002 (2)	−0.009 (2)
C1	0.088 (5)	0.042 (3)	0.033 (3)	−0.004 (3)	0.011 (3)	−0.003 (2)
C2	0.067 (4)	0.052 (4)	0.046 (3)	−0.009 (3)	0.008 (3)	0.001 (3)
C3	0.061 (4)	0.055 (4)	0.042 (3)	−0.003 (3)	0.002 (3)	−0.010 (3)
C11	0.049 (3)	0.029 (2)	0.036 (3)	−0.004 (2)	−0.002 (2)	−0.009 (2)
C12	0.050 (3)	0.051 (3)	0.051 (3)	−0.007 (2)	−0.003 (2)	−0.017 (3)
C13	0.068 (4)	0.062 (4)	0.058 (4)	−0.014 (3)	0.019 (3)	−0.027 (3)
C14	0.093 (5)	0.061 (4)	0.045 (3)	−0.011 (4)	0.019 (3)	−0.016 (3)
C15	0.089 (5)	0.070 (4)	0.040 (3)	0.005 (4)	−0.014 (3)	−0.010 (3)
C16	0.049 (3)	0.063 (4)	0.043 (3)	0.002 (3)	−0.006 (2)	−0.013 (3)
C21	0.043 (3)	0.040 (3)	0.043 (3)	−0.005 (2)	−0.008 (2)	−0.006 (2)
C22	0.058 (3)	0.039 (3)	0.042 (3)	−0.005 (2)	−0.001 (2)	−0.009 (2)
C23	0.075 (4)	0.042 (3)	0.074 (4)	−0.006 (3)	0.001 (3)	−0.017 (3)
C24	0.087 (5)	0.038 (3)	0.077 (5)	−0.015 (3)	−0.014 (4)	0.003 (3)
C25	0.142 (7)	0.060 (5)	0.054 (4)	−0.026 (5)	−0.015 (4)	0.006 (4)
C26	0.130 (6)	0.048 (4)	0.042 (3)	−0.022 (4)	−0.014 (4)	−0.008 (3)
C31	0.040 (3)	0.054 (3)	0.034 (3)	−0.003 (2)	−0.002 (2)	−0.015 (2)
C32	0.048 (3)	0.065 (4)	0.054 (3)	−0.007 (3)	0.003 (3)	−0.003 (3)
C33	0.043 (3)	0.089 (5)	0.069 (4)	−0.013 (3)	0.003 (3)	−0.002 (4)
C34	0.044 (4)	0.111 (6)	0.066 (4)	0.009 (4)	0.000 (3)	−0.028 (4)
C35	0.061 (4)	0.071 (4)	0.075 (4)	0.018 (3)	−0.016 (3)	−0.025 (4)
C36	0.054 (3)	0.054 (4)	0.064 (4)	−0.005 (3)	−0.017 (3)	−0.020 (3)
C41	0.041 (3)	0.034 (3)	0.036 (3)	0.003 (2)	−0.009 (2)	−0.008 (2)
C42	0.049 (3)	0.081 (4)	0.056 (3)	0.000 (3)	−0.007 (3)	−0.036 (3)
C43	0.070 (4)	0.101 (6)	0.061 (4)	−0.011 (4)	0.000 (3)	−0.049 (4)
C44	0.062 (4)	0.068 (4)	0.067 (4)	−0.006 (3)	−0.019 (3)	−0.028 (3)
C45	0.042 (3)	0.059 (4)	0.060 (4)	−0.010 (3)	−0.009 (3)	−0.011 (3)
C46	0.048 (3)	0.056 (3)	0.043 (3)	0.002 (2)	−0.005 (2)	−0.016 (3)
C51	0.038 (3)	0.047 (3)	0.038 (3)	0.006 (2)	−0.006 (2)	−0.015 (2)
C52	0.048 (3)	0.071 (4)	0.043 (3)	0.000 (3)	−0.001 (2)	−0.013 (3)
C53	0.051 (4)	0.116 (6)	0.047 (4)	−0.004 (4)	0.003 (3)	−0.022 (4)
C54	0.051 (4)	0.136 (7)	0.056 (4)	0.035 (4)	−0.013 (3)	−0.038 (5)
C55	0.070 (5)	0.109 (7)	0.089 (6)	0.046 (5)	−0.019 (4)	−0.025 (5)
C56	0.061 (4)	0.059 (4)	0.079 (5)	0.013 (3)	−0.002 (3)	−0.001 (4)
C61	0.038 (3)	0.033 (3)	0.035 (2)	0.0024 (19)	−0.004 (2)	−0.008 (2)
C62	0.054 (3)	0.043 (3)	0.045 (3)	−0.006 (2)	−0.003 (2)	−0.007 (3)
C63	0.055 (3)	0.047 (3)	0.052 (3)	−0.008 (3)	−0.006 (3)	0.009 (3)
C64	0.057 (3)	0.066 (4)	0.036 (3)	0.007 (3)	0.002 (2)	0.000 (3)
C65	0.072 (4)	0.055 (4)	0.038 (3)	0.007 (3)	−0.009 (3)	−0.007 (3)
C66	0.059 (3)	0.040 (3)	0.045 (3)	−0.006 (2)	−0.006 (2)	−0.010 (2)
C71	0.046 (3)	0.037 (3)	0.036 (3)	0.000 (2)	−0.003 (2)	−0.004 (2)
C72	0.123 (6)	0.047 (4)	0.079 (5)	−0.010 (4)	−0.049 (5)	0.000 (4)
C73	0.168 (9)	0.036 (4)	0.095 (6)	−0.014 (4)	−0.051 (6)	−0.007 (4)
C74	0.120 (6)	0.045 (4)	0.069 (4)	0.004 (4)	−0.013 (4)	0.006 (3)
C75	0.110 (6)	0.061 (5)	0.100 (6)	−0.006 (4)	−0.050 (5)	0.018 (4)
C76	0.094 (5)	0.046 (4)	0.091 (5)	−0.012 (3)	−0.044 (4)	0.010 (4)
C81	0.045 (3)	0.032 (3)	0.035 (3)	−0.001 (2)	−0.009 (2)	−0.002 (2)
C82	0.063 (4)	0.049 (3)	0.040 (3)	0.001 (3)	−0.016 (3)	−0.008 (3)
C83	0.091 (5)	0.061 (4)	0.045 (3)	0.003 (4)	−0.026 (3)	−0.011 (3)
C84	0.099 (6)	0.060 (4)	0.055 (4)	−0.018 (4)	−0.037 (4)	−0.006 (3)
C85	0.061 (4)	0.076 (5)	0.065 (4)	−0.031 (3)	−0.020 (3)	0.008 (4)
C86	0.051 (3)	0.056 (4)	0.048 (3)	−0.012 (3)	−0.008 (3)	0.002 (3)
C91	0.026 (2)	0.044 (3)	0.038 (3)	−0.0006 (19)	−0.0035 (19)	−0.009 (2)
C92	0.042 (3)	0.053 (3)	0.047 (3)	0.003 (2)	0.000 (2)	−0.008 (3)
C93	0.060 (4)	0.066 (4)	0.042 (3)	−0.012 (3)	−0.004 (3)	0.001 (3)
C94	0.077 (5)	0.091 (6)	0.083 (5)	0.014 (4)	0.036 (4)	−0.029 (5)
C95	0.068 (4)	0.094 (6)	0.054 (4)	−0.018 (4)	0.021 (3)	−0.020 (4)
C96	0.071 (4)	0.059 (4)	0.061 (4)	0.013 (3)	0.012 (3)	−0.003 (3)

Geometric parameters (Å, º)

Au1—P1	2.4001 (12)	C41—C42	1.375 (7)
Au1—P3	2.4056 (13)	C41—C46	1.388 (7)
Au1—P2	2.4074 (13)	C42—C43	1.382 (8)
Au1—S1	2.9090 (15)	C43—C44	1.376 (9)
S1—C1	1.699 (6)	C44—C45	1.365 (8)
S2—C2	1.659 (7)	C45—C46	1.380 (7)
S3—C3	1.660 (6)	C51—C52	1.368 (7)
P1—C31	1.822 (5)	C51—C56	1.410 (8)
P1—C21	1.829 (5)	C52—C53	1.394 (9)
P1—C11	1.839 (5)	C53—C54	1.352 (10)
P2—C51	1.812 (5)	C54—C55	1.366 (11)
P2—C61	1.828 (5)	C55—C56	1.395 (9)
P2—C41	1.835 (5)	C61—C66	1.385 (7)
P3—C91	1.826 (5)	C61—C62	1.394 (7)
P3—C71	1.822 (5)	C62—C63	1.410 (8)
P3—C81	1.833 (5)	C63—C64	1.351 (8)
N1—C2	1.358 (8)	C64—C65	1.364 (8)
N1—C3	1.378 (8)	C65—C66	1.388 (7)
N2—C3	1.337 (7)	C71—C72	1.362 (8)
N2—C1	1.342 (8)	C71—C76	1.373 (8)
N3—C2	1.373 (8)	C72—C73	1.386 (9)
N3—C1	1.371 (8)	C73—C74	1.358 (10)
C11—C16	1.388 (7)	C74—C75	1.340 (10)
C11—C12	1.391 (7)	C75—C76	1.392 (10)
C12—C13	1.376 (8)	C81—C86	1.371 (7)
C13—C14	1.382 (9)	C81—C82	1.400 (7)
C14—C15	1.370 (9)	C82—C83	1.365 (8)
C15—C16	1.378 (8)	C83—C84	1.350 (9)
C21—C26	1.374 (8)	C84—C85	1.366 (10)
C21—C22	1.378 (7)	C85—C86	1.392 (8)
C22—C23	1.380 (8)	C91—C96	1.369 (8)
C23—C24	1.360 (9)	C91—C92	1.384 (7)
C24—C25	1.359 (10)	C92—C93	1.389 (8)
C25—C26	1.387 (9)	C93—C95	1.351 (9)
C31—C36	1.385 (8)	C94—C95	1.365 (10)
C31—C32	1.398 (7)	C94—C96	1.376 (9)
C32—C33	1.384 (9)	O1—C4	1.290 (18)
C33—C34	1.378 (10)	N5—C4	1.289 (18)
C34—C35	1.385 (10)	N5—C5	1.395 (16)
C35—C36	1.387 (8)	N5—C6	1.475 (13)
P1—Au1—P3	119.69 (4)	C34—C33—C32	120.6 (6)
P1—Au1—P2	118.99 (4)	C33—C34—C35	119.5 (6)
P3—Au1—P2	114.48 (4)	C36—C35—C34	119.9 (7)
P1—Au1—S1	99.14 (5)	C31—C36—C35	121.2 (6)
P3—Au1—S1	92.84 (5)	C42—C41—C46	118.5 (5)
P2—Au1—S1	104.21 (4)	C42—C41—P2	120.6 (4)
C1—S1—Au1	119.29 (19)	C46—C41—P2	120.9 (4)
C31—P1—C21	102.6 (2)	C41—C42—C43	120.6 (6)
C31—P1—C11	102.9 (2)	C44—C43—C42	120.3 (6)
C21—P1—C11	104.2 (2)	C45—C44—C43	119.7 (5)
C31—P1—Au1	117.55 (17)	C44—C45—C46	120.1 (5)
C21—P1—Au1	117.98 (16)	C45—C46—C41	120.8 (5)
C11—P1—Au1	109.83 (15)	C52—C51—C56	118.3 (5)
C51—P2—C61	105.2 (2)	C52—C51—P2	119.9 (4)
C51—P2—C41	102.4 (2)	C56—C51—P2	121.6 (4)
C61—P2—C41	103.9 (2)	C51—C52—C53	121.1 (6)
C51—P2—Au1	115.39 (17)	C54—C53—C52	120.1 (7)
C61—P2—Au1	109.16 (16)	C53—C54—C55	120.6 (7)
C41—P2—Au1	119.35 (16)	C54—C55—C56	120.3 (7)
C91—P3—C71	104.0 (2)	C55—C56—C51	119.5 (7)
C91—P3—C81	102.8 (2)	C66—C61—C62	118.1 (5)
C71—P3—C81	103.6 (2)	C66—C61—P2	118.0 (4)
C91—P3—Au1	108.46 (15)	C62—C61—P2	123.9 (4)
C71—P3—Au1	119.58 (16)	C61—C62—C63	119.5 (5)
C81—P3—Au1	116.50 (17)	C64—C63—C62	120.6 (5)
C2—N1—C3	125.1 (5)	C63—C64—C65	120.8 (5)
C3—N2—C1	118.7 (5)	C64—C65—C66	119.5 (5)
C2—N3—C1	121.9 (5)	C65—C66—C61	121.5 (5)
N2—C1—N3	121.6 (5)	C72—C71—C76	117.0 (5)
N2—C1—S1	122.1 (5)	C72—C71—P3	120.3 (4)
N3—C1—S1	116.2 (5)	C76—C71—P3	122.6 (4)
N1—C2—N3	113.6 (6)	C71—C72—C73	121.3 (6)
N1—C2—S2	123.3 (5)	C74—C73—C72	120.7 (7)
N3—C2—S2	123.1 (5)	C75—C74—C73	119.0 (7)
N2—C3—N1	118.6 (5)	C74—C75—C76	120.6 (7)
N2—C3—S3	123.7 (5)	C71—C76—C75	121.2 (6)
N1—C3—S3	117.8 (4)	C86—C81—C82	119.2 (5)
C16—C11—C12	117.8 (5)	C86—C81—P3	122.3 (4)
C16—C11—P1	123.1 (4)	C82—C81—P3	118.4 (4)
C12—C11—P1	118.9 (4)	C83—C82—C81	120.2 (6)
C13—C12—C11	121.5 (5)	C84—C83—C82	119.9 (6)
C12—C13—C14	119.5 (6)	C83—C84—C85	121.7 (6)
C15—C14—C13	119.8 (6)	C84—C85—C86	119.3 (6)
C14—C15—C16	120.6 (6)	C81—C86—C85	119.8 (6)
C15—C16—C11	120.7 (6)	C96—C91—C92	118.0 (5)
C26—C21—C22	118.7 (5)	C96—C91—P3	124.6 (4)
C26—C21—P1	119.1 (4)	C92—C91—P3	117.4 (4)
C22—C21—P1	122.2 (4)	C91—C92—C93	121.1 (5)
C21—C22—C23	120.1 (5)	C95—C93—C92	120.1 (6)
C24—C23—C22	120.8 (6)	C95—C94—C96	121.8 (7)
C23—C24—C25	119.8 (6)	C93—C95—C94	119.0 (6)
C24—C25—C26	120.0 (6)	C91—C96—C94	120.0 (6)
C21—C26—C25	120.6 (6)	C4—N5—C5	107.3 (13)
C36—C31—C32	118.3 (5)	C4—N5—C6	132.0 (13)
C36—C31—P1	118.8 (4)	C5—N5—C6	119.1 (11)
C32—C31—P1	122.8 (5)	N5—C4—O1	113.3 (17)
C33—C32—C31	120.5 (6)