(N,N-Di­iso­propyl­di­thio­carbamato-S,S')­bis­(tri­phenyl­phosphine-P)­gold(I) butane solvate

In the crystal structure of the title complex, [Au(C₇H₁₄NS₂)(C₁₈H₁₅P)₂]·C₄H₁₀, the Au atom is in a distorted tetra­hedral environment consisting of the two P atoms of the tri­phenyl­phosphine ligands and the two S atoms of the diiso­propyl­thio­carbamate ligand. The molecular structure and packing are stablized by van der Waals interactions.

S1. Comment

There has been growing interest in the study of d¹⁰ metal complexes, which exhibit rich photophysical and photochemical properties (Harvey & Gray, 1988; Vogler & Kunkely, 1988). Of particular interest is the nature of the lowest electronic excited states, which serve to develop a better understanding of the luminescent properties of d¹⁰–d¹⁰ systems (Yam et al., 1990). Also, it has been found that gold(I) dialkyldithiocarbamates exist in discrete dimeric units which stack in the solid state to form linear gold chains (Hesse & Jennische, 1972). The number of gold(I) complexes of this type is limited in the literature. As part of our work on this type of complex, we present here the synthesis and crystal structure of the novel gold(I) complex (N,N-diisopropyldithiocarbamato-S,S')bis(triphenylphosphine-P)gold(I) butane solvate, (I).

The crystal structure of (I) consists of mononuclear [Au(PPh₃)₂{S₂CN(ⁱPr)₂}] units and butane molecules in a 1:1 ratio. As shown in Fig. 1, the Au^I ion in (I) is four-coordinated forming a distorted tetrahedron. The diisopropyldithiocarbamate ligand acts as a bidentate ligand coordinating through the two S atoms, forming a four-membered chelate ring. The other positions of the tetrahedron are occupied by two triphenylphosphine ligands.

The four-membered AuS₂C ring is planar, with a maximum deviation of 0.047 (6) Å for C37. The Au1—S2 bond length [2.714 (2) Å] is longer than that of Au1—S1 [2.681 (2) Å] as the former is a coordination bond. Only a small variation in the C—S bond distance is observed. The Au—P distances are almost equal and are slightly longer than those found in [(AuSC₂H₄PEt₂)₂ [2.27 (2) Å; Crane & Beall, 1978] and C₁₄H₃₈Au₃Cl₃O₁₂P₆·2.5H₂O [2.296 (7) Å; Yam et al., 1990]. The C37—N1 distance [1.350 (7) Å] has double-bond character, but is a little longer than those observed in the related structures (Sharma et al., 1991; Gimeno et al., 1996; Jian et al., 1999). The P—C and C—C bond distances are in good agreement with values reported for silimar structures (Zheng et al., 1997; Razak et al., 2000).

The smallest angle, S1—Au1—S2 of 65.71 (5)°, is restricted by the bite angle of the ligand (Crespo et al., 1997; Jones et al., 1994; Gimeno et al., 1994), whereas the largest alngle, P1—Au1—P2 of 132.15 (5)°, is the open side opposite the chelate ring. A possible explanation for this large value is minimization of the steric interaction between the PPh₃ groups. The other P—Au—S angles deviate slightly from the tetrahedral value of 109.47°.

A non-crystallographic twofold axis passes through atoms N1, C17 and Au1. The diisopropyl group is twisted by 7.5 (2)° with respect to the AuS₂C group. The isopropyl groups are at anticlinal (C38, C39 and C40) and synclinal (C41, C42 and C43) orientations with respect to the N1—C38 and N1—C41 bonds, respectively. The N1—C37 bond act as an ethylene bond with S atoms and isopropyl groups on either side. The orientations of the isopropyl groups are limited by the intramolecular C—S interaction. The butane solvent is not involved in any interaction as there is no potential acceptor atom.

It is quite interesting to note that the molecular structure is stabilized by intramolecular C—H···π interaction between the aromatic H atoms of the PPh₃ groups and the centroid (Cg) of the chelate ring (atoms Au1, S1, C37 and S2) [C2···Cg = 3.48, H2A···Cg = 2.68 Å, C2—H2A···Cg = 145°; C36···Cg = 3.43, H36A···Cg = 2.72 Å, C36—H36A···Cg = 133°;].

S2. Experimental

Sodium N,N'-diisopropyldithiocarbamate, Na(S₂CNiPr₂), dissolved in H₂O was added to gold trichloride at room temperature with stirring. The brown reaction mixture was filtered and the filtrate was washed with water and dried overnight in a vacuum. The brown solid obtained was dissolved in butane. Triphenylphosphine was added at 353–363 K with stirring and the solution was refluxed for 4–5 h before cooling. Single crystals of (I) suitable for X-ray analysis were grown by slow evaporation at room temperature for a period of two weeks.

S3. Refinement

The butane solvent is disordered and so has a higher atomic displacement parameter ratio for a few atoms. All H atoms were fixed geometrically at calculated distances and allowed to ride on their parent atoms. The maximum and minimum electron densities (1.31 and −1.46 e Å⁻³) were observed at distances of 1.05 and 0.89 Å, respectively, from the Au1 atom.

Computing details

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 1990).

Figures

Fig. 1. The molecular structure of (I) showing 50% probability displacement ellipsoids and the atom-numbering scheme; the butane solvent molecule has been omitted for clarity.

[(Diisopropyldithiocarbamate) Bis(triphenylphosphines) Gold(I)] butane Solvate

Crystal data

[Au(C7H14NS2)(C18H15P)2]·C4H10	F(000) = 1936
Mr = 955.94	Dx = 1.376 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 12.0927 (2) Å	Cell parameters from 8192 reflections
b = 25.2129 (5) Å	θ = 1.6–28.4°
c = 15.4999 (3) Å	µ = 3.38 mm^−1
β = 102.392 (1)°	T = 293 K
V = 4615.70 (15) Å^3	Slab, colourless
Z = 4	0.42 × 0.28 × 0.12 mm

Data collection

Siemens SMART CCD area-detector diffractometer	11360 independent reflections
Radiation source: fine-focus sealed tube	5735 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.072
Detector resolution: 8.33 pixels mm^-1	θmax = 28.3°, θmin = 1.6°
ω scans	h = −16→16
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996)	k = −29→33
Tmin = 0.331, Tmax = 0.687	l = −20→17
31290 measured reflections

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)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.119	H-atom parameters constrained
S = 0.99	w = 1/[σ^2(Fo^2) + (0.0331P)^2] where P = (Fo^2 + 2Fc^2)/3
11360 reflections	(Δ/σ)max = 0.001
478 parameters	Δρmax = 1.31 e Å^−3
3 restraints	Δρmin = −1.46 e Å^−3

Special details

Experimental. The data collection covered over a hemisphere of reciprocal space by a combination of three sets of exposures; each set had a different ϕ angle (0, 88 and 180°) for the crystal and each exposure of 10 s covered 0.3° in ω. The crystal-to-detector distance was 4 cm and the detector swing angle was −35°. Coverage of the unique set is over 99% complete. Crystal decay was monitored by repeating fifty initial frames at the end of data collection and analysing the duplicate reflections, and was found to be negligible.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq
Au1	0.003638 (19)	0.041403 (9)	0.754681 (16)	0.04747 (9)
S1	−0.00648 (15)	0.12619 (7)	0.64886 (10)	0.0543 (4)
P1	0.18396 (12)	0.00391 (6)	0.79054 (10)	0.0392 (4)
S2	0.00540 (15)	0.13589 (7)	0.83879 (10)	0.0528 (5)
P2	−0.17678 (12)	0.00387 (6)	0.72036 (10)	0.0401 (4)
N1	−0.0321 (6)	0.2182 (2)	0.7266 (4)	0.0699 (18)
C1	0.3029 (4)	0.0492 (2)	0.8271 (4)	0.0409 (14)
C2	0.2899 (5)	0.1012 (3)	0.7975 (5)	0.059 (2)
H2A	0.2220	0.1126	0.7620	0.071*
C3	0.3798 (6)	0.1358 (3)	0.8218 (6)	0.082 (3)
H3A	0.3724	0.1704	0.8004	0.099*
C4	0.4798 (6)	0.1206 (3)	0.8766 (5)	0.078 (2)
H4A	0.5384	0.1449	0.8937	0.094*
C5	0.4918 (5)	0.0695 (3)	0.9057 (4)	0.062 (2)
H5A	0.5595	0.0586	0.9419	0.075*
C6	0.4038 (5)	0.0337 (3)	0.8817 (4)	0.0528 (18)
H6A	0.4125	−0.0010	0.9025	0.063*
C7	0.1994 (4)	−0.0451 (2)	0.8783 (3)	0.0396 (14)
C8	0.1533 (5)	−0.0340 (3)	0.9518 (4)	0.0556 (18)
H8A	0.1177	−0.0016	0.9552	0.067*
C9	0.1598 (6)	−0.0703 (3)	1.0191 (4)	0.065 (2)
H9A	0.1310	−0.0619	1.0685	0.078*
C10	0.2085 (6)	−0.1186 (3)	1.0131 (5)	0.065 (2)
H10A	0.2095	−0.1438	1.0570	0.078*
C11	0.2558 (6)	−0.1299 (3)	0.9430 (5)	0.062 (2)
H11A	0.2911	−0.1624	0.9403	0.074*
C12	0.2517 (5)	−0.0937 (3)	0.8762 (4)	0.0525 (17)
H12A	0.2847	−0.1019	0.8289	0.063*
C13	0.2211 (5)	−0.0333 (2)	0.7002 (3)	0.0420 (15)
C14	0.3270 (6)	−0.0304 (3)	0.6781 (4)	0.064 (2)
H14A	0.3835	−0.0089	0.7102	0.076*
C15	0.3466 (7)	−0.0600 (3)	0.6083 (5)	0.086 (3)
H15A	0.4181	−0.0590	0.5952	0.103*
C16	0.2657 (7)	−0.0904 (3)	0.5581 (5)	0.070 (2)
H16A	0.2808	−0.1092	0.5104	0.084*
C17	0.1624 (7)	−0.0931 (3)	0.5782 (4)	0.063 (2)
H17A	0.1066	−0.1143	0.5445	0.076*
C18	0.1390 (5)	−0.0647 (2)	0.6481 (4)	0.0479 (16)
H18A	0.0672	−0.0666	0.6605	0.057*
C19	−0.2133 (5)	−0.0350 (2)	0.8098 (4)	0.0446 (15)
C20	−0.1309 (6)	−0.0676 (3)	0.8591 (4)	0.0574 (19)
H20A	−0.0594	−0.0687	0.8460	0.069*
C21	−0.1519 (7)	−0.0978 (3)	0.9258 (5)	0.067 (2)
H21A	−0.0951	−0.1193	0.9577	0.080*
C22	−0.2575 (8)	−0.0970 (3)	0.9467 (5)	0.081 (2)
H22A	−0.2722	−0.1180	0.9922	0.097*
C23	−0.3406 (7)	−0.0646 (3)	0.8990 (5)	0.081 (2)
H23A	−0.4113	−0.0631	0.9134	0.097*
C24	−0.3198 (6)	−0.0344 (3)	0.8302 (5)	0.064 (2)
H24A	−0.3771	−0.0136	0.7973	0.077*
C25	−0.1921 (5)	−0.0428 (3)	0.6280 (4)	0.0449 (15)
C26	−0.2467 (5)	−0.0913 (3)	0.6272 (4)	0.0560 (18)
H26A	−0.2761	−0.1018	0.6752	0.067*
C27	−0.2570 (6)	−0.1240 (3)	0.5538 (5)	0.071 (2)
H27A	−0.2945	−0.1563	0.5525	0.085*
C28	−0.2129 (6)	−0.1092 (3)	0.4840 (5)	0.069 (2)
H28A	−0.2202	−0.1316	0.4354	0.083*
C29	−0.1578 (6)	−0.0619 (3)	0.4845 (5)	0.070 (2)
H29A	−0.1274	−0.0522	0.4365	0.084*
C30	−0.1476 (5)	−0.0287 (3)	0.5565 (4)	0.0565 (19)
H30A	−0.1103	0.0036	0.5568	0.068*
C31	−0.2970 (4)	0.0490 (3)	0.6849 (4)	0.0442 (15)
C32	−0.3944 (5)	0.0327 (3)	0.6263 (4)	0.059 (2)
H32A	−0.4000	−0.0017	0.6039	0.070*
C33	−0.4836 (5)	0.0680 (3)	0.6013 (5)	0.070 (2)
H33A	−0.5495	0.0571	0.5627	0.084*
C34	−0.4752 (6)	0.1182 (3)	0.6326 (5)	0.075 (2)
H34A	−0.5348	0.1418	0.6150	0.090*
C35	−0.3778 (6)	0.1343 (3)	0.6909 (6)	0.085 (3)
H35A	−0.3718	0.1688	0.7125	0.102*
C36	−0.2888 (5)	0.0989 (3)	0.7171 (5)	0.062 (2)
H36A	−0.2236	0.1096	0.7568	0.074*
C37	−0.0132 (5)	0.1656 (2)	0.7370 (4)	0.0462 (14)
C38	−0.0400 (8)	0.2519 (3)	0.8044 (6)	0.091 (3)
H38A	−0.0208	0.2293	0.8569	0.110*
C39	−0.1631 (10)	0.2713 (4)	0.7974 (7)	0.149 (5)
H39A	−0.2134	0.2414	0.7900	0.223*
H39B	−0.1841	0.2946	0.7475	0.223*
H39C	−0.1683	0.2901	0.8503	0.223*
C40	0.0455 (11)	0.2953 (5)	0.8157 (9)	0.191 (7)
H40A	0.1194	0.2805	0.8188	0.286*
H40B	0.0447	0.3143	0.8693	0.286*
H40C	0.0275	0.3192	0.7664	0.286*
C41	−0.0563 (10)	0.2465 (3)	0.6379 (6)	0.103 (3)
H41A	−0.0720	0.2832	0.6519	0.124*
C42	−0.1649 (11)	0.2276 (4)	0.5767 (7)	0.150 (5)
H42A	−0.2252	0.2273	0.6081	0.225*
H42B	−0.1540	0.1924	0.5564	0.225*
H42C	−0.1840	0.2511	0.5270	0.225*
C43	0.0498 (11)	0.2500 (5)	0.5996 (9)	0.180 (6)
H43A	0.1121	0.2625	0.6443	0.270*
H43B	0.0366	0.2742	0.5507	0.270*
H43C	0.0673	0.2155	0.5799	0.270*
C44	0.400 (3)	0.2662 (13)	0.608 (4)	0.77 (6)
H44A	0.4235	0.2531	0.5571	1.156*
H44B	0.3339	0.2880	0.5905	1.156*
H44C	0.3825	0.2369	0.6428	1.156*
C45	0.493 (3)	0.2985 (14)	0.663 (2)	0.70 (8)
H45A	0.5680	0.2856	0.6599	0.838*
H45B	0.4870	0.3360	0.6487	0.838*
C46	0.464 (3)	0.2864 (10)	0.750 (2)	0.51 (4)
H46A	0.3928	0.3051	0.7473	0.610*
H46B	0.4437	0.2491	0.7458	0.610*
C47	0.526 (3)	0.2931 (14)	0.844 (2)	0.57 (5)
H47A	0.4738	0.3050	0.8792	0.861*
H47B	0.5849	0.3188	0.8471	0.861*
H47C	0.5578	0.2597	0.8667	0.861*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Au1	0.03530 (12)	0.05104 (14)	0.05533 (15)	0.00186 (16)	0.00807 (9)	0.00294 (16)
S1	0.0754 (11)	0.0544 (11)	0.0364 (8)	0.0114 (9)	0.0191 (8)	0.0003 (7)
P1	0.0333 (8)	0.0467 (10)	0.0376 (8)	−0.0003 (7)	0.0077 (7)	0.0002 (7)
S2	0.0632 (10)	0.0611 (12)	0.0354 (8)	0.0000 (8)	0.0133 (8)	−0.0041 (7)
P2	0.0317 (8)	0.0478 (10)	0.0412 (9)	0.0035 (7)	0.0085 (7)	0.0030 (7)
N1	0.115 (5)	0.055 (4)	0.040 (3)	0.006 (3)	0.018 (3)	−0.002 (3)
C1	0.036 (3)	0.045 (4)	0.044 (3)	−0.006 (3)	0.014 (3)	−0.003 (3)
C2	0.042 (4)	0.057 (5)	0.074 (5)	−0.015 (3)	0.006 (4)	0.008 (3)
C3	0.069 (5)	0.058 (6)	0.116 (7)	−0.013 (4)	0.009 (5)	0.020 (4)
C4	0.059 (5)	0.079 (6)	0.091 (6)	−0.033 (5)	0.005 (5)	−0.005 (5)
C5	0.042 (4)	0.079 (6)	0.062 (4)	−0.021 (4)	0.002 (3)	0.002 (4)
C6	0.041 (3)	0.063 (5)	0.051 (4)	−0.002 (3)	0.003 (3)	0.005 (3)
C7	0.031 (3)	0.049 (4)	0.040 (3)	−0.011 (3)	0.009 (3)	0.002 (3)
C8	0.049 (4)	0.063 (5)	0.057 (4)	0.000 (3)	0.017 (3)	−0.005 (4)
C9	0.066 (5)	0.095 (6)	0.035 (4)	−0.018 (4)	0.015 (3)	0.009 (4)
C10	0.066 (5)	0.065 (5)	0.058 (5)	−0.018 (4)	0.001 (4)	0.020 (4)
C11	0.072 (5)	0.047 (5)	0.064 (5)	0.000 (3)	0.012 (4)	0.008 (4)
C12	0.050 (4)	0.060 (5)	0.049 (4)	0.000 (3)	0.014 (3)	−0.002 (3)
C13	0.047 (3)	0.046 (4)	0.032 (3)	0.005 (3)	0.009 (3)	0.006 (3)
C14	0.047 (4)	0.088 (6)	0.061 (4)	−0.007 (4)	0.023 (4)	−0.014 (4)
C15	0.078 (5)	0.119 (7)	0.073 (5)	−0.008 (5)	0.045 (5)	−0.020 (5)
C16	0.094 (6)	0.063 (5)	0.061 (5)	−0.008 (5)	0.036 (5)	−0.015 (4)
C17	0.081 (5)	0.062 (5)	0.042 (4)	−0.001 (4)	0.003 (4)	−0.003 (3)
C18	0.049 (4)	0.054 (4)	0.042 (3)	0.000 (3)	0.011 (3)	0.002 (3)
C19	0.045 (3)	0.051 (4)	0.040 (3)	0.004 (3)	0.013 (3)	−0.001 (3)
C20	0.060 (4)	0.065 (5)	0.046 (4)	0.005 (4)	0.010 (4)	0.009 (3)
C21	0.078 (5)	0.066 (5)	0.055 (4)	0.003 (4)	0.011 (4)	0.012 (4)
C22	0.110 (7)	0.078 (6)	0.059 (5)	−0.015 (5)	0.029 (5)	0.014 (4)
C23	0.086 (6)	0.092 (6)	0.080 (6)	0.000 (5)	0.051 (5)	0.015 (5)
C24	0.061 (4)	0.072 (5)	0.064 (4)	0.004 (4)	0.021 (4)	0.011 (4)
C25	0.041 (3)	0.052 (4)	0.040 (3)	0.003 (3)	0.005 (3)	0.007 (3)
C26	0.064 (4)	0.055 (4)	0.052 (4)	−0.008 (4)	0.018 (4)	−0.002 (3)
C27	0.069 (5)	0.074 (6)	0.066 (5)	0.000 (4)	0.007 (5)	−0.020 (4)
C28	0.067 (5)	0.090 (6)	0.047 (4)	0.020 (5)	0.004 (4)	−0.019 (4)
C29	0.070 (5)	0.095 (6)	0.047 (4)	0.016 (5)	0.019 (4)	0.009 (4)
C30	0.062 (4)	0.063 (5)	0.046 (4)	0.001 (4)	0.017 (4)	−0.003 (3)
C31	0.032 (3)	0.051 (4)	0.048 (3)	0.005 (3)	0.006 (3)	0.006 (3)
C32	0.041 (3)	0.066 (5)	0.064 (4)	0.007 (3)	0.001 (3)	−0.001 (4)
C33	0.042 (4)	0.092 (6)	0.067 (5)	0.005 (4)	−0.008 (4)	0.003 (4)
C34	0.051 (4)	0.077 (6)	0.094 (6)	0.022 (4)	0.011 (4)	0.012 (5)
C35	0.069 (5)	0.063 (6)	0.119 (7)	0.020 (4)	0.015 (5)	−0.005 (5)
C36	0.051 (4)	0.054 (5)	0.079 (5)	−0.001 (4)	0.010 (4)	−0.008 (4)
C37	0.049 (3)	0.049 (3)	0.041 (4)	−0.007 (3)	0.011 (3)	0.001 (3)
C38	0.137 (8)	0.066 (5)	0.069 (5)	0.004 (6)	0.016 (6)	−0.019 (4)
C39	0.170 (11)	0.138 (10)	0.145 (10)	0.029 (9)	0.048 (9)	−0.056 (8)
C40	0.198 (14)	0.174 (13)	0.204 (15)	−0.082 (10)	0.051 (13)	−0.127 (11)
C41	0.174 (10)	0.046 (5)	0.092 (7)	−0.002 (6)	0.034 (7)	0.005 (4)
C42	0.221 (13)	0.110 (8)	0.093 (8)	0.073 (9)	−0.022 (9)	0.005 (6)
C43	0.257 (16)	0.125 (11)	0.202 (14)	−0.028 (11)	0.147 (13)	0.037 (9)
C44	0.36 (5)	0.12 (2)	0.87 (19)	0.05 (3)	0.09 (8)	0.16 (5)
C45	0.31 (5)	0.29 (6)	0.9 (2)	0.08 (4)	0.17 (9)	0.46 (10)
C46	0.46 (6)	0.14 (2)	0.82 (12)	−0.14 (3)	−0.09 (7)	0.09 (4)
C47	0.25 (3)	0.52 (6)	0.96 (11)	−0.19 (4)	0.14 (5)	−0.41 (7)

Geometric parameters (Å, º)

Au1—P1	2.3318 (15)	C14—C15	1.375 (10)
Au1—P2	2.3324 (15)	C15—C16	1.350 (10)
Au1—S1	2.6811 (17)	C16—C17	1.352 (10)
Au1—S2	2.7136 (17)	C17—C18	1.378 (9)
S1—C37	1.704 (6)	C19—C20	1.388 (8)
P1—C7	1.817 (6)	C19—C24	1.390 (9)
P1—C13	1.820 (6)	C20—C21	1.351 (9)
P1—C1	1.829 (5)	C21—C22	1.383 (10)
S2—C37	1.717 (6)	C22—C23	1.381 (10)
P2—C19	1.828 (6)	C23—C24	1.376 (10)
P2—C25	1.831 (6)	C25—C30	1.380 (8)
P2—C31	1.835 (6)	C25—C26	1.389 (8)
N1—C37	1.350 (7)	C26—C27	1.387 (9)
N1—C38	1.495 (9)	C27—C28	1.357 (10)
N1—C41	1.521 (10)	C28—C29	1.366 (10)
C1—C6	1.384 (7)	C29—C30	1.380 (9)
C1—C2	1.386 (8)	C31—C36	1.348 (8)
C2—C3	1.381 (8)	C31—C32	1.387 (7)
C3—C4	1.375 (9)	C32—C33	1.388 (8)
C4—C5	1.363 (9)	C33—C34	1.351 (10)
C5—C6	1.384 (8)	C34—C35	1.383 (9)
C7—C12	1.382 (8)	C35—C36	1.390 (8)
C7—C8	1.399 (8)	C38—C40	1.492 (12)
C8—C9	1.378 (9)	C38—C39	1.549 (12)
C9—C10	1.364 (9)	C41—C42	1.523 (12)
C10—C11	1.362 (10)	C41—C43	1.526 (13)
C11—C12	1.373 (8)	C44—C45	1.500 (2)
C13—C18	1.385 (8)	C45—C46	1.500 (2)
C13—C14	1.397 (8)	C46—C47	1.500 (2)
P1—Au1—P2	132.15 (5)	C14—C13—P1	123.5 (5)
P1—Au1—S1	112.74 (6)	C15—C14—C13	119.1 (7)
P2—Au1—S1	105.44 (5)	C16—C15—C14	122.3 (8)
P1—Au1—S2	109.32 (5)	C15—C16—C17	119.1 (7)
P2—Au1—S2	112.10 (6)	C16—C17—C18	120.7 (7)
S1—Au1—S2	65.71 (5)	C17—C18—C13	120.8 (6)
C37—S1—Au1	88.7 (2)	C20—C19—C24	118.2 (6)
C7—P1—C13	102.9 (3)	C20—C19—P2	118.3 (5)
C7—P1—C1	104.2 (2)	C24—C19—P2	123.6 (5)
C13—P1—C1	104.6 (3)	C21—C20—C19	121.6 (7)
C7—P1—Au1	113.24 (19)	C20—C21—C22	120.4 (7)
C13—P1—Au1	113.46 (18)	C23—C22—C21	119.1 (7)
C1—P1—Au1	117.0 (2)	C24—C23—C22	120.6 (8)
C37—S2—Au1	87.4 (2)	C23—C24—C19	120.1 (7)
C19—P2—C25	104.3 (3)	C30—C25—C26	119.1 (6)
C19—P2—C31	104.8 (3)	C30—C25—P2	118.1 (5)
C25—P2—C31	102.9 (3)	C26—C25—P2	122.8 (5)
C19—P2—Au1	114.28 (18)	C27—C26—C25	119.3 (7)
C25—P2—Au1	111.8 (2)	C28—C27—C26	120.7 (8)
C31—P2—Au1	117.3 (2)	C27—C28—C29	120.6 (7)
C37—N1—C38	120.0 (6)	C28—C29—C30	119.6 (7)
C37—N1—C41	124.3 (6)	C25—C30—C29	120.7 (7)
C38—N1—C41	115.4 (6)	C36—C31—C32	120.2 (6)
C6—C1—C2	119.5 (5)	C36—C31—P2	118.5 (4)
C6—C1—P1	122.9 (5)	C32—C31—P2	121.3 (5)
C2—C1—P1	117.5 (4)	C31—C32—C33	119.5 (6)
C3—C2—C1	118.7 (6)	C34—C33—C32	120.5 (6)
C4—C3—C2	121.9 (7)	C33—C34—C35	119.8 (7)
C5—C4—C3	118.9 (6)	C34—C35—C36	120.0 (7)
C4—C5—C6	120.5 (6)	C31—C36—C35	120.0 (6)
C1—C6—C5	120.3 (6)	N1—C37—S1	120.8 (5)
C12—C7—C8	117.5 (6)	N1—C37—S2	121.5 (5)
C12—C7—P1	124.0 (5)	S1—C37—S2	117.6 (3)
C8—C7—P1	118.6 (5)	C40—C38—N1	110.5 (9)
C9—C8—C7	121.0 (7)	C40—C38—C39	114.0 (9)
C10—C9—C8	119.7 (7)	N1—C38—C39	110.5 (7)
C11—C10—C9	120.2 (7)	N1—C41—C42	112.9 (8)
C10—C11—C12	120.6 (7)	N1—C41—C43	111.3 (9)
C11—C12—C7	120.9 (7)	C42—C41—C43	117.4 (10)
C18—C13—C14	117.8 (6)	C46—C45—C44	96 (5)
C18—C13—P1	118.6 (5)	C47—C46—C45	133 (3)