Bis[μ-1,2-bis-(diphenyl-phosphino)ethane-κP:P']digold(I)(Au-Au) bis-(trifluoro-methane-sulfonate) acetonitrile disolvate.

The title compound, [Au(2)(C(26)H(24)P(2))(2)](CF(3)SO(3))(2)·2CH(3)CN, comprises a cyclic cation with a short intra-molecular aurophilic inter-action of 2.9220 (3) Å. The trifluoro-methane-sulfonate anions and acetonitrile solvent mol-ecules are located in channels formed by the complex cations that run along the crystallographic c axis. Each counter-anion is also engaged in a C-H⋯O contact with one of the methyl-ene H atoms of a 1,2-bis-(diphenyl-phosphino)ethane (dppe) ligand; another C-H⋯O contact involving an aromatic H atom is also observed.

Related literature

For 31P NMR evidence of [Au2(μ-dppe)3]2+, see: Al-Baker et al. (1985 ▶). For [Au2(μ-dppm)2]2+, see: de Jongh et al. (2007 ▶). For a related structure, see: Schuh et al. (2001 ▶).

Experimental

Crystal data

[Au2(C26H24P2)2](CF3SO3)2·2C2H3N

M = 1571.0

Monoclinic,

a = 11.7888 (9) Å

b = 36.998 (3) Å

c = 14.377 (1) Å

β = 113.011 (1)°

V = 5771.6 (8) Å3

Z = 4

Mo Kα radiation

μ = 5.33 mm−1

T = 100 K

0.21 × 0.15 × 0.07 mm

Data collection

Bruker SMART APEX CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2002 ▶) T min = 0.404, T max = 0.686

36089 measured reflections

13385 independent reflections

10742 reflections with I > 2σ(I)

R int = 0.048

Refinement

R[F 2 > 2σ(F 2)] = 0.042

wR(F 2) = 0.095

S = 1.01

13385 reflections

723 parameters

H-atom parameters constrained

Δρmax = 2.35 e Å−3

Δρmin = −0.75 e Å−3

Data collection: SMART (Bruker, 2002 ▶); cell refinement: SAINT (Bruker, 2003 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶; Atwood & Barbour, 2003 ▶); software used to prepare material for publication: X-SEED.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809025513/im2111sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809025513/im2111Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Au2(C26H24P2)2](CF3SO3)2·2C2H3N	F(000) = 3072
Mr = 1571.0	Dx = 1.808 Mg m−3
Monoclinic, P21/c	Melting point: 528 K
Hall symbol: -P 2ybc	Mo Kα radiation, λ = 0.71073 Å
a = 11.7888 (9) Å	Cell parameters from 6846 reflections
b = 36.998 (3) Å	θ = 2.2–27.1°
c = 14.377 (1) Å	µ = 5.33 mm−1
β = 113.011 (1)°	T = 100 K
V = 5771.6 (8) Å3	Block, colourless
Z = 4	0.21 × 0.15 × 0.07 mm

Bruker SMART APEX CCD area-detector diffractometer	13385 independent reflections
Radiation source: fine-focus sealed tube	10742 reflections with I > 2σ(I)
graphite	Rint = 0.048
ω scans	θmax = 28.2°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Bruker, 2002)	h = −15→14
Tmin = 0.404, Tmax = 0.686	k = −49→36
36089 measured reflections	l = −19→19

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.042	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.095	H-atom parameters constrained
S = 1.01	w = 1/[σ2(Fo2) + (0.0437P)2] where P = (Fo2 + 2Fc2)/3
13385 reflections	(Δ/σ)max = 0.002
723 parameters	Δρmax = 2.35 e Å−3
0 restraints	Δρmin = −0.75 e Å−3

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 > 2σ(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.

	x	y	z	Uiso*/Ueq
Au1	0.623479 (18)	0.134499 (5)	0.336490 (15)	0.01447 (6)
S1	0.51439 (13)	0.41844 (4)	0.19532 (10)	0.0215 (3)
P1	0.54886 (12)	0.18698 (4)	0.24655 (10)	0.0140 (3)
F1	0.7019 (3)	0.38763 (10)	0.3408 (3)	0.0412 (9)
O1	0.5380 (4)	0.39408 (11)	0.1268 (3)	0.0321 (10)
N1	0.0693 (7)	0.4616 (3)	0.4339 (7)	0.111 (4)
C1	0.6633 (6)	0.42044 (17)	0.3017 (5)	0.0338 (15)
Au2	0.415549 (18)	0.128908 (5)	0.398184 (15)	0.01447 (6)
S2	0.05080 (14)	0.32922 (4)	0.64951 (11)	0.0270 (3)
P2	0.43840 (12)	0.18914 (4)	0.44274 (10)	0.0137 (3)
F2	0.7494 (4)	0.43370 (12)	0.2719 (3)	0.0576 (12)
O2	0.4945 (4)	0.45535 (11)	0.1614 (3)	0.0310 (10)
N2	0.1128 (5)	0.3048 (2)	0.3405 (5)	0.0543 (18)
C2	0.0292 (5)	0.34533 (17)	0.7605 (5)	0.0288 (14)
P3	0.71663 (12)	0.08150 (4)	0.41409 (10)	0.0147 (3)
F3	0.6598 (4)	0.44111 (12)	0.3755 (3)	0.0591 (13)
O3	0.4330 (4)	0.40469 (12)	0.2393 (3)	0.0341 (10)
C3	−0.0048 (7)	0.4312 (2)	0.5593 (6)	0.0466 (18)
H3A	−0.0708	0.4143	0.5219	0.070*
H3B	−0.0361	0.4491	0.5937	0.070*
H3C	0.0639	0.4179	0.6094	0.070*
P4	0.39442 (12)	0.06958 (4)	0.34652 (10)	0.0150 (3)
F4	0.1308 (3)	0.34219 (12)	0.8437 (3)	0.0470 (11)
O4	0.1513 (4)	0.35096 (12)	0.6475 (3)	0.0370 (11)
C4	0.0371 (7)	0.4493 (2)	0.4906 (6)	0.055 (2)
F5	−0.0018 (4)	0.38046 (11)	0.7517 (3)	0.0530 (12)
O5	−0.0660 (4)	0.33678 (14)	0.5692 (3)	0.0416 (12)
C5	0.0301 (8)	0.3640 (2)	0.3840 (6)	0.058 (2)
H5A	0.0973	0.3815	0.4115	0.088*
H5B	−0.0045	0.3589	0.4344	0.088*
H5C	−0.0343	0.3739	0.3229	0.088*
F6	−0.0600 (3)	0.32773 (11)	0.7752 (3)	0.0432 (10)
O6	0.0822 (4)	0.29207 (12)	0.6734 (4)	0.0435 (12)
C6	0.0770 (7)	0.3311 (2)	0.3592 (5)	0.0416 (17)
C11	0.3965 (4)	0.20169 (14)	0.2369 (4)	0.0154 (11)
H11A	0.3659	0.2199	0.1823	0.018*
H11B	0.3404	0.1806	0.2152	0.018*
C12	0.3855 (5)	0.21770 (14)	0.3307 (4)	0.0172 (11)
H12A	0.2979	0.2238	0.3138	0.021*
H12B	0.4328	0.2406	0.3476	0.021*
C21	0.6443 (5)	0.05786 (14)	0.4879 (4)	0.0160 (11)
H21A	0.7009	0.0383	0.5256	0.019*
H21B	0.6387	0.0751	0.5386	0.019*
C22	0.5162 (5)	0.04105 (13)	0.4334 (4)	0.0176 (11)
H22A	0.4879	0.0320	0.4856	0.021*
H22B	0.5253	0.0198	0.3951	0.021*
C111	0.5323 (5)	0.17899 (13)	0.1181 (4)	0.0146 (10)
C112	0.4219 (5)	0.18370 (14)	0.0346 (4)	0.0170 (11)
H112	0.3510	0.1921	0.0439	0.020*
C113	0.4150 (5)	0.17621 (15)	−0.0620 (4)	0.0231 (12)
H113	0.3400	0.1800	−0.1188	0.028*
C114	0.5184 (5)	0.16318 (15)	−0.0755 (4)	0.0237 (12)
H114	0.5130	0.1571	−0.1413	0.028*
C115	0.6284 (5)	0.15913 (15)	0.0063 (4)	0.0240 (12)
H115	0.6997	0.1513	−0.0033	0.029*
C116	0.6350 (5)	0.16644 (14)	0.1019 (4)	0.0203 (12)
H116	0.7107	0.1629	0.1581	0.024*
C121	0.6486 (5)	0.22545 (14)	0.2910 (4)	0.0157 (11)
C122	0.7689 (5)	0.22112 (17)	0.3589 (4)	0.0247 (13)
H122	0.8006	0.1977	0.3814	0.030*
C123	0.8436 (6)	0.25158 (19)	0.3942 (5)	0.0362 (16)
H123	0.9263	0.2488	0.4411	0.043*
C124	0.7982 (6)	0.28533 (18)	0.3617 (5)	0.0340 (16)
H124	0.8496	0.3059	0.3865	0.041*
C125	0.6787 (6)	0.28986 (16)	0.2932 (5)	0.0299 (14)
H125	0.6481	0.3134	0.2707	0.036*
C126	0.6040 (5)	0.26026 (15)	0.2576 (4)	0.0211 (12)
H126	0.5217	0.2634	0.2101	0.025*
C211	0.3496 (4)	0.20220 (13)	0.5156 (4)	0.0132 (10)
C212	0.3608 (5)	0.18048 (14)	0.5987 (4)	0.0175 (11)
H212	0.4141	0.1601	0.6150	0.021*
C213	0.2948 (5)	0.18857 (16)	0.6568 (4)	0.0235 (13)
H213	0.3047	0.1742	0.7143	0.028*
C214	0.2145 (5)	0.21744 (16)	0.6315 (4)	0.0237 (13)
H214	0.1678	0.2226	0.6709	0.028*
C215	0.2014 (5)	0.23887 (15)	0.5494 (4)	0.0231 (12)
H215	0.1468	0.2589	0.5332	0.028*
C216	0.2677 (5)	0.23123 (14)	0.4904 (4)	0.0176 (11)
H216	0.2573	0.2457	0.4331	0.021*
C221	0.5969 (5)	0.20160 (13)	0.5168 (4)	0.0147 (11)
C222	0.6842 (5)	0.17419 (14)	0.5606 (4)	0.0178 (11)
H222	0.6596	0.1496	0.5521	0.021*
C223	0.8067 (5)	0.18318 (16)	0.6163 (4)	0.0224 (12)
H223	0.8659	0.1647	0.6456	0.027*
C224	0.8423 (5)	0.21888 (16)	0.6291 (4)	0.0233 (12)
H224	0.9261	0.2249	0.6670	0.028*
C225	0.7564 (5)	0.24615 (15)	0.5867 (4)	0.0224 (12)
H225	0.7816	0.2707	0.5958	0.027*
C226	0.6345 (5)	0.23751 (13)	0.5316 (4)	0.0166 (11)
H226	0.5759	0.2562	0.5036	0.020*
C311	0.8709 (5)	0.09196 (14)	0.5052 (4)	0.0171 (11)
C312	0.9202 (5)	0.07739 (15)	0.6013 (4)	0.0237 (12)
H312	0.8720	0.0616	0.6232	0.028*
C313	1.0394 (5)	0.08574 (16)	0.6656 (4)	0.0246 (13)
H313	1.0726	0.0753	0.7312	0.029*
C314	1.1105 (5)	0.10878 (16)	0.6365 (4)	0.0281 (14)
H314	1.1926	0.1142	0.6811	0.034*
C315	1.0600 (6)	0.12436 (16)	0.5395 (5)	0.0314 (15)
H315	1.1077	0.1406	0.5183	0.038*
C316	0.9410 (5)	0.11595 (15)	0.4754 (4)	0.0236 (12)
H316	0.9066	0.1267	0.4103	0.028*
C321	0.7306 (5)	0.04977 (14)	0.3231 (4)	0.0184 (11)
C322	0.7267 (5)	0.01260 (15)	0.3364 (4)	0.0206 (12)
H322	0.7189	0.0034	0.3953	0.025*
C323	0.7340 (5)	−0.01093 (16)	0.2645 (5)	0.0310 (15)
H323	0.7294	−0.0363	0.2729	0.037*
C324	0.7480 (5)	0.00253 (18)	0.1808 (5)	0.0328 (15)
H324	0.7550	−0.0137	0.1320	0.039*
C325	0.7521 (5)	0.03941 (17)	0.1665 (4)	0.0294 (14)
H325	0.7619	0.0484	0.1082	0.035*
C326	0.7420 (5)	0.06317 (15)	0.2373 (4)	0.0227 (12)
H326	0.7429	0.0885	0.2270	0.027*
C411	0.2566 (5)	0.04865 (14)	0.3496 (4)	0.0169 (11)
C412	0.2230 (5)	0.05834 (15)	0.4281 (4)	0.0231 (12)
H412	0.2696	0.0760	0.4757	0.028*
C413	0.1218 (5)	0.04255 (16)	0.4376 (5)	0.0269 (13)
H413	0.0996	0.0490	0.4922	0.032*
C414	0.0529 (5)	0.01721 (16)	0.3673 (4)	0.0265 (13)
H414	−0.0174	0.0066	0.3731	0.032*
C415	0.0858 (5)	0.00731 (16)	0.2890 (4)	0.0266 (13)
H415	0.0388	−0.0103	0.2413	0.032*
C416	0.1883 (5)	0.02315 (15)	0.2798 (4)	0.0236 (12)
H416	0.2112	0.0164	0.2258	0.028*
C421	0.3955 (4)	0.06367 (13)	0.2221 (4)	0.0151 (11)
C422	0.3721 (5)	0.09313 (15)	0.1579 (4)	0.0216 (12)
H422	0.3519	0.1158	0.1782	0.026*
C423	0.3780 (5)	0.08951 (16)	0.0631 (4)	0.0282 (14)
H423	0.3601	0.1096	0.0186	0.034*
C424	0.4097 (5)	0.05691 (16)	0.0344 (4)	0.0277 (14)
H424	0.4172	0.0548	−0.0288	0.033*
C425	0.4304 (5)	0.02744 (16)	0.0964 (4)	0.0264 (13)
H425	0.4491	0.0048	0.0746	0.032*
C426	0.4246 (5)	0.03023 (14)	0.1899 (4)	0.0201 (12)
H426	0.4401	0.0097	0.2326	0.024*

	U11	U22	U33	U12	U13	U23
Au1	0.01467 (11)	0.01186 (10)	0.01630 (11)	0.00198 (7)	0.00542 (8)	0.00180 (8)
S1	0.0256 (8)	0.0168 (7)	0.0209 (7)	−0.0008 (5)	0.0078 (6)	0.0022 (6)
P1	0.0143 (7)	0.0131 (6)	0.0138 (6)	0.0013 (5)	0.0046 (6)	0.0010 (5)
F1	0.039 (2)	0.031 (2)	0.046 (2)	0.0108 (17)	0.0080 (19)	0.0172 (18)
O1	0.049 (3)	0.020 (2)	0.031 (2)	−0.0057 (19)	0.019 (2)	−0.0058 (19)
N1	0.067 (6)	0.153 (9)	0.103 (7)	−0.006 (6)	0.023 (5)	0.088 (7)
C1	0.035 (4)	0.027 (3)	0.032 (4)	0.000 (3)	0.006 (3)	0.006 (3)
Au2	0.01510 (11)	0.01046 (10)	0.01807 (11)	−0.00068 (7)	0.00673 (8)	−0.00238 (8)
S2	0.0228 (8)	0.0291 (8)	0.0316 (8)	0.0023 (6)	0.0132 (7)	−0.0049 (7)
P2	0.0140 (7)	0.0121 (6)	0.0146 (6)	−0.0006 (5)	0.0050 (6)	−0.0010 (5)
F2	0.036 (2)	0.057 (3)	0.068 (3)	−0.012 (2)	0.008 (2)	0.023 (2)
O2	0.040 (3)	0.019 (2)	0.029 (2)	0.0025 (18)	0.008 (2)	0.0015 (18)
N2	0.032 (4)	0.064 (5)	0.055 (4)	0.000 (3)	0.004 (3)	−0.007 (4)
C2	0.021 (3)	0.032 (4)	0.029 (3)	0.000 (3)	0.005 (3)	−0.002 (3)
P3	0.0134 (7)	0.0118 (6)	0.0178 (7)	0.0015 (5)	0.0047 (6)	0.0009 (5)
F3	0.075 (3)	0.052 (3)	0.027 (2)	0.009 (2)	−0.006 (2)	−0.012 (2)
O3	0.031 (2)	0.034 (3)	0.041 (3)	0.0042 (19)	0.017 (2)	0.011 (2)
C3	0.052 (5)	0.041 (4)	0.055 (5)	−0.006 (3)	0.030 (4)	−0.005 (4)
P4	0.0146 (7)	0.0111 (6)	0.0192 (7)	−0.0010 (5)	0.0066 (6)	−0.0024 (5)
F4	0.027 (2)	0.077 (3)	0.027 (2)	−0.003 (2)	−0.0003 (17)	−0.001 (2)
O4	0.025 (2)	0.042 (3)	0.047 (3)	0.001 (2)	0.017 (2)	0.007 (2)
C4	0.035 (4)	0.065 (6)	0.058 (5)	0.004 (4)	0.011 (4)	0.026 (4)
F5	0.077 (3)	0.036 (2)	0.053 (3)	0.017 (2)	0.033 (3)	−0.004 (2)
O5	0.028 (3)	0.066 (4)	0.025 (2)	−0.003 (2)	0.005 (2)	−0.012 (2)
C5	0.087 (7)	0.045 (5)	0.054 (5)	−0.002 (4)	0.040 (5)	0.007 (4)
F6	0.026 (2)	0.070 (3)	0.040 (2)	−0.0067 (19)	0.0208 (18)	−0.004 (2)
O6	0.049 (3)	0.026 (2)	0.064 (3)	0.006 (2)	0.032 (3)	−0.006 (2)
C6	0.036 (4)	0.049 (5)	0.040 (4)	−0.010 (3)	0.015 (3)	−0.002 (4)
C11	0.013 (3)	0.016 (3)	0.014 (2)	0.002 (2)	0.002 (2)	0.002 (2)
C12	0.016 (3)	0.016 (3)	0.017 (3)	0.003 (2)	0.004 (2)	−0.005 (2)
C21	0.015 (3)	0.016 (3)	0.017 (3)	0.002 (2)	0.005 (2)	0.003 (2)
C22	0.021 (3)	0.010 (2)	0.023 (3)	−0.002 (2)	0.009 (2)	−0.001 (2)
C111	0.020 (3)	0.011 (2)	0.011 (2)	−0.002 (2)	0.005 (2)	0.001 (2)
C112	0.016 (3)	0.015 (3)	0.019 (3)	0.002 (2)	0.005 (2)	0.001 (2)
C113	0.022 (3)	0.028 (3)	0.014 (3)	0.001 (2)	0.001 (2)	−0.002 (2)
C114	0.032 (3)	0.022 (3)	0.020 (3)	−0.004 (2)	0.013 (3)	−0.004 (2)
C115	0.021 (3)	0.024 (3)	0.029 (3)	0.000 (2)	0.012 (3)	−0.002 (3)
C116	0.017 (3)	0.022 (3)	0.023 (3)	0.002 (2)	0.009 (2)	−0.001 (2)
C121	0.018 (3)	0.015 (3)	0.015 (3)	−0.002 (2)	0.007 (2)	−0.002 (2)
C122	0.016 (3)	0.034 (3)	0.023 (3)	−0.001 (2)	0.006 (2)	0.001 (3)
C123	0.023 (3)	0.053 (5)	0.026 (3)	−0.020 (3)	0.003 (3)	−0.004 (3)
C124	0.045 (4)	0.032 (4)	0.031 (3)	−0.021 (3)	0.022 (3)	−0.016 (3)
C125	0.047 (4)	0.017 (3)	0.033 (3)	0.000 (3)	0.024 (3)	−0.006 (3)
C126	0.023 (3)	0.019 (3)	0.021 (3)	0.002 (2)	0.009 (2)	0.001 (2)
C211	0.013 (3)	0.013 (2)	0.013 (2)	−0.0059 (19)	0.005 (2)	−0.006 (2)
C212	0.016 (3)	0.017 (3)	0.015 (3)	−0.002 (2)	0.001 (2)	−0.003 (2)
C213	0.023 (3)	0.025 (3)	0.021 (3)	−0.011 (2)	0.008 (3)	−0.004 (2)
C214	0.019 (3)	0.033 (3)	0.026 (3)	−0.013 (2)	0.015 (3)	−0.011 (3)
C215	0.017 (3)	0.024 (3)	0.029 (3)	−0.002 (2)	0.009 (3)	−0.012 (3)
C216	0.018 (3)	0.017 (3)	0.017 (3)	0.000 (2)	0.006 (2)	−0.003 (2)
C221	0.014 (3)	0.014 (3)	0.015 (2)	−0.002 (2)	0.004 (2)	−0.003 (2)
C222	0.018 (3)	0.016 (3)	0.017 (3)	0.000 (2)	0.005 (2)	−0.002 (2)
C223	0.018 (3)	0.026 (3)	0.020 (3)	0.006 (2)	0.003 (2)	0.001 (2)
C224	0.019 (3)	0.031 (3)	0.018 (3)	−0.002 (2)	0.006 (2)	−0.002 (2)
C225	0.022 (3)	0.023 (3)	0.021 (3)	−0.008 (2)	0.007 (3)	−0.007 (2)
C226	0.019 (3)	0.012 (3)	0.020 (3)	0.001 (2)	0.008 (2)	0.000 (2)
C311	0.010 (3)	0.018 (3)	0.020 (3)	0.005 (2)	0.002 (2)	−0.003 (2)
C312	0.022 (3)	0.017 (3)	0.032 (3)	0.000 (2)	0.011 (3)	−0.001 (2)
C313	0.022 (3)	0.026 (3)	0.023 (3)	0.005 (2)	0.005 (3)	0.002 (2)
C314	0.017 (3)	0.028 (3)	0.032 (3)	−0.004 (2)	0.002 (3)	−0.011 (3)
C315	0.028 (3)	0.026 (3)	0.042 (4)	−0.008 (3)	0.015 (3)	−0.001 (3)
C316	0.019 (3)	0.026 (3)	0.023 (3)	0.002 (2)	0.005 (2)	0.004 (2)
C321	0.014 (3)	0.018 (3)	0.019 (3)	0.004 (2)	0.003 (2)	0.000 (2)
C322	0.013 (3)	0.022 (3)	0.030 (3)	0.004 (2)	0.012 (2)	0.002 (2)
C323	0.018 (3)	0.022 (3)	0.049 (4)	0.000 (2)	0.008 (3)	−0.009 (3)
C324	0.023 (3)	0.042 (4)	0.029 (3)	−0.001 (3)	0.006 (3)	−0.020 (3)
C325	0.028 (3)	0.037 (4)	0.025 (3)	−0.004 (3)	0.013 (3)	−0.005 (3)
C326	0.022 (3)	0.021 (3)	0.026 (3)	−0.004 (2)	0.010 (3)	−0.003 (2)
C411	0.013 (3)	0.012 (3)	0.022 (3)	−0.002 (2)	0.003 (2)	0.001 (2)
C412	0.024 (3)	0.018 (3)	0.024 (3)	0.000 (2)	0.006 (3)	−0.005 (2)
C413	0.024 (3)	0.027 (3)	0.033 (3)	0.006 (2)	0.015 (3)	0.003 (3)
C414	0.018 (3)	0.025 (3)	0.036 (3)	−0.003 (2)	0.009 (3)	0.006 (3)
C415	0.020 (3)	0.023 (3)	0.028 (3)	−0.009 (2)	−0.001 (3)	−0.004 (3)
C416	0.028 (3)	0.019 (3)	0.026 (3)	−0.003 (2)	0.013 (3)	−0.004 (2)
C421	0.011 (3)	0.013 (2)	0.017 (3)	−0.0030 (19)	0.001 (2)	−0.004 (2)
C422	0.021 (3)	0.020 (3)	0.020 (3)	−0.001 (2)	0.003 (2)	−0.002 (2)
C423	0.035 (4)	0.025 (3)	0.019 (3)	−0.008 (3)	0.004 (3)	−0.003 (2)
C424	0.029 (3)	0.032 (3)	0.022 (3)	−0.015 (3)	0.009 (3)	−0.009 (3)
C425	0.022 (3)	0.026 (3)	0.029 (3)	−0.001 (2)	0.008 (3)	−0.008 (3)
C426	0.020 (3)	0.013 (3)	0.028 (3)	0.002 (2)	0.009 (2)	0.000 (2)

Au1—P1	2.3079 (13)	C125—C126	1.373 (8)
Au1—P3	2.3105 (13)	C125—H125	0.9500
Au1—Au2	2.9220 (3)	C126—H126	0.9500
S1—O3	1.433 (4)	C211—C216	1.394 (7)
S1—O2	1.438 (4)	C211—C212	1.402 (7)
S1—O1	1.440 (4)	C212—C213	1.379 (7)
S1—C1	1.824 (6)	C212—H212	0.9500
P1—C121	1.797 (5)	C213—C214	1.379 (8)
P1—C111	1.804 (5)	C213—H213	0.9500
P1—C11	1.829 (5)	C214—C215	1.380 (8)
F1—C1	1.340 (7)	C214—H214	0.9500
N1—C4	1.121 (10)	C215—C216	1.390 (7)
C1—F3	1.323 (7)	C215—H215	0.9500
C1—F2	1.338 (7)	C216—H216	0.9500
Au2—P4	2.2993 (13)	C221—C226	1.390 (7)
Au2—P2	2.3052 (13)	C221—C222	1.407 (7)
S2—O6	1.430 (5)	C222—C223	1.390 (7)
S2—O5	1.437 (4)	C222—H222	0.9500
S2—O4	1.442 (4)	C223—C224	1.376 (8)
S2—C2	1.813 (6)	C223—H223	0.9500
P2—C221	1.811 (5)	C224—C225	1.390 (8)
P2—C211	1.812 (5)	C224—H224	0.9500
P2—C12	1.820 (5)	C225—C226	1.380 (7)
N2—C6	1.134 (9)	C225—H225	0.9500
C2—F6	1.322 (7)	C226—H226	0.9500
C2—F4	1.326 (6)	C311—C312	1.382 (7)
C2—F5	1.343 (7)	C311—C316	1.389 (7)
P3—C321	1.812 (5)	C312—C313	1.382 (8)
P3—C311	1.819 (5)	C312—H312	0.9500
P3—C21	1.823 (5)	C313—C314	1.371 (8)
C3—C4	1.430 (10)	C313—H313	0.9500
C3—H3A	0.9800	C314—C315	1.408 (8)
C3—H3B	0.9800	C314—H314	0.9500
C3—H3C	0.9800	C315—C316	1.380 (8)
P4—C421	1.807 (5)	C315—H315	0.9500
P4—C411	1.816 (5)	C316—H316	0.9500
P4—C22	1.826 (5)	C321—C326	1.384 (7)
C5—C6	1.437 (10)	C321—C322	1.392 (7)
C5—H5A	0.9800	C322—C323	1.380 (8)
C5—H5B	0.9800	C322—H322	0.9500
C5—H5C	0.9800	C323—C324	1.371 (9)
C11—C12	1.525 (7)	C323—H323	0.9500
C11—H11A	0.9900	C324—C325	1.383 (9)
C11—H11B	0.9900	C324—H324	0.9500
C12—H12A	0.9900	C325—C326	1.385 (8)
C12—H12B	0.9900	C325—H325	0.9500
C21—C22	1.536 (7)	C326—H326	0.9500
C21—H21A	0.9900	C411—C412	1.382 (7)
C21—H21B	0.9900	C411—C416	1.383 (7)
C22—H22A	0.9900	C412—C413	1.382 (8)
C22—H22B	0.9900	C412—H412	0.9500
C111—C112	1.394 (7)	C413—C414	1.385 (8)
C111—C116	1.398 (7)	C413—H413	0.9500
C112—C113	1.387 (7)	C414—C415	1.375 (8)
C112—H112	0.9500	C414—H414	0.9500
C113—C114	1.393 (8)	C415—C416	1.395 (8)
C113—H113	0.9500	C415—H415	0.9500
C114—C115	1.377 (7)	C416—H416	0.9500
C114—H114	0.9500	C421—C422	1.385 (7)
C115—C116	1.373 (7)	C421—C426	1.409 (7)
C115—H115	0.9500	C422—C423	1.397 (7)
C116—H116	0.9500	C422—H422	0.9500
C121—C122	1.381 (7)	C423—C424	1.373 (8)
C121—C126	1.403 (7)	C423—H423	0.9500
C122—C123	1.398 (8)	C424—C425	1.368 (8)
C122—H122	0.9500	C424—H424	0.9500
C123—C124	1.367 (9)	C425—C426	1.377 (7)
C123—H123	0.9500	C425—H425	0.9500
C124—C125	1.377 (9)	C426—H426	0.9500
C124—H124	0.9500
P1—Au1—P3	171.77 (5)	C122—C123—H123	119.8
P1—Au1—Au2	92.77 (3)	C123—C124—C125	120.6 (6)
P3—Au1—Au2	95.17 (3)	C123—C124—H124	119.7
O3—S1—O2	116.0 (3)	C125—C124—H124	119.7
O3—S1—O1	114.9 (3)	C126—C125—C124	119.8 (6)
O2—S1—O1	114.3 (2)	C126—C125—H125	120.1
O3—S1—C1	103.7 (3)	C124—C125—H125	120.1
O2—S1—C1	102.8 (3)	C125—C126—C121	120.3 (5)
O1—S1—C1	102.6 (3)	C125—C126—H126	119.9
C121—P1—C111	106.7 (2)	C121—C126—H126	119.9
C121—P1—C11	106.2 (2)	C216—C211—C212	119.2 (5)
C111—P1—C11	105.1 (2)	C216—C211—P2	123.6 (4)
C121—P1—Au1	114.46 (18)	C212—C211—P2	117.1 (4)
C111—P1—Au1	107.50 (17)	C213—C212—C211	120.3 (5)
C11—P1—Au1	116.15 (17)	C213—C212—H212	119.9
F3—C1—F2	108.1 (5)	C211—C212—H212	119.9
F3—C1—F1	107.4 (5)	C214—C213—C212	120.1 (5)
F2—C1—F1	106.9 (5)	C214—C213—H213	120.0
F3—C1—S1	112.0 (5)	C212—C213—H213	120.0
F2—C1—S1	110.4 (4)	C213—C214—C215	120.4 (5)
F1—C1—S1	111.9 (4)	C213—C214—H214	119.8
P4—Au2—P2	177.10 (5)	C215—C214—H214	119.8
P4—Au2—Au1	88.13 (3)	C214—C215—C216	120.3 (5)
P2—Au2—Au1	89.72 (3)	C214—C215—H215	119.8
O6—S2—O5	117.2 (3)	C216—C215—H215	119.8
O6—S2—O4	113.8 (3)	C215—C216—C211	119.7 (5)
O5—S2—O4	114.3 (3)	C215—C216—H216	120.1
O6—S2—C2	102.5 (3)	C211—C216—H216	120.1
O5—S2—C2	102.9 (3)	C226—C221—C222	119.1 (5)
O4—S2—C2	103.5 (3)	C226—C221—P2	121.8 (4)
C221—P2—C211	106.8 (2)	C222—C221—P2	119.1 (4)
C221—P2—C12	106.9 (2)	C223—C222—C221	119.9 (5)
C211—P2—C12	106.3 (2)	C223—C222—H222	120.0
C221—P2—Au2	113.02 (17)	C221—C222—H222	120.0
C211—P2—Au2	112.79 (16)	C224—C223—C222	120.0 (5)
C12—P2—Au2	110.66 (17)	C224—C223—H223	120.0
F6—C2—F4	107.9 (5)	C222—C223—H223	120.0
F6—C2—F5	106.8 (5)	C223—C224—C225	120.4 (5)
F4—C2—F5	106.7 (5)	C223—C224—H224	119.8
F6—C2—S2	111.9 (4)	C225—C224—H224	119.8
F4—C2—S2	112.1 (4)	C226—C225—C224	120.0 (5)
F5—C2—S2	111.2 (4)	C226—C225—H225	120.0
C321—P3—C311	108.1 (2)	C224—C225—H225	120.0
C321—P3—C21	107.7 (2)	C225—C226—C221	120.5 (5)
C311—P3—C21	104.3 (2)	C225—C226—H226	119.7
C321—P3—Au1	111.19 (17)	C221—C226—H226	119.7
C311—P3—Au1	108.64 (17)	C312—C311—C316	119.2 (5)
C21—P3—Au1	116.49 (17)	C312—C311—P3	123.2 (4)
C4—C3—H3A	109.5	C316—C311—P3	117.5 (4)
C4—C3—H3B	109.5	C313—C312—C311	120.2 (5)
H3A—C3—H3B	109.5	C313—C312—H312	119.9
C4—C3—H3C	109.5	C311—C312—H312	119.9
H3A—C3—H3C	109.5	C314—C313—C312	121.2 (5)
H3B—C3—H3C	109.5	C314—C313—H313	119.4
C421—P4—C411	109.0 (2)	C312—C313—H313	119.4
C421—P4—C22	107.4 (2)	C313—C314—C315	119.0 (5)
C411—P4—C22	102.0 (2)	C313—C314—H314	120.5
C421—P4—Au2	113.18 (17)	C315—C314—H314	120.5
C411—P4—Au2	112.60 (18)	C316—C315—C314	119.6 (6)
C22—P4—Au2	111.96 (17)	C316—C315—H315	120.2
N1—C4—C3	176.0 (11)	C314—C315—H315	120.2
C6—C5—H5A	109.5	C315—C316—C311	120.7 (5)
C6—C5—H5B	109.5	C315—C316—H316	119.6
H5A—C5—H5B	109.5	C311—C316—H316	119.6
C6—C5—H5C	109.5	C326—C321—C322	119.7 (5)
H5A—C5—H5C	109.5	C326—C321—P3	118.6 (4)
H5B—C5—H5C	109.5	C322—C321—P3	121.6 (4)
N2—C6—C5	178.7 (9)	C323—C322—C321	120.3 (5)
C12—C11—P1	118.0 (3)	C323—C322—H322	119.8
C12—C11—H11A	107.8	C321—C322—H322	119.8
P1—C11—H11A	107.8	C324—C323—C322	119.6 (6)
C12—C11—H11B	107.8	C324—C323—H323	120.2
P1—C11—H11B	107.8	C322—C323—H323	120.2
H11A—C11—H11B	107.1	C323—C324—C325	120.8 (6)
C11—C12—P2	116.0 (3)	C323—C324—H324	119.6
C11—C12—H12A	108.3	C325—C324—H324	119.6
P2—C12—H12A	108.3	C324—C325—C326	119.9 (6)
C11—C12—H12B	108.3	C324—C325—H325	120.0
P2—C12—H12B	108.3	C326—C325—H325	120.0
H12A—C12—H12B	107.4	C321—C326—C325	119.6 (5)
C22—C21—P3	119.2 (4)	C321—C326—H326	120.2
C22—C21—H21A	107.5	C325—C326—H326	120.2
P3—C21—H21A	107.5	C412—C411—C416	119.9 (5)
C22—C21—H21B	107.5	C412—C411—P4	117.0 (4)
P3—C21—H21B	107.5	C416—C411—P4	123.1 (4)
H21A—C21—H21B	107.0	C411—C412—C413	120.3 (5)
C21—C22—P4	117.9 (3)	C411—C412—H412	119.8
C21—C22—H22A	107.8	C413—C412—H412	119.8
P4—C22—H22A	107.8	C412—C413—C414	119.7 (5)
C21—C22—H22B	107.8	C412—C413—H413	120.1
P4—C22—H22B	107.8	C414—C413—H413	120.1
H22A—C22—H22B	107.2	C415—C414—C413	120.4 (5)
C112—C111—C116	118.4 (5)	C415—C414—H414	119.8
C112—C111—P1	123.5 (4)	C413—C414—H414	119.8
C116—C111—P1	118.0 (4)	C414—C415—C416	119.8 (5)
C113—C112—C111	120.5 (5)	C414—C415—H415	120.1
C113—C112—H112	119.8	C416—C415—H415	120.1
C111—C112—H112	119.8	C411—C416—C415	119.9 (5)
C112—C113—C114	119.8 (5)	C411—C416—H416	120.1
C112—C113—H113	120.1	C415—C416—H416	120.1
C114—C113—H113	120.1	C422—C421—C426	118.9 (5)
C115—C114—C113	120.1 (5)	C422—C421—P4	119.2 (4)
C115—C114—H114	119.9	C426—C421—P4	121.9 (4)
C113—C114—H114	119.9	C421—C422—C423	120.1 (5)
C116—C115—C114	120.0 (5)	C421—C422—H422	120.0
C116—C115—H115	120.0	C423—C422—H422	120.0
C114—C115—H115	120.0	C424—C423—C422	120.0 (6)
C115—C116—C111	121.1 (5)	C424—C423—H423	120.0
C115—C116—H116	119.4	C422—C423—H423	120.0
C111—C116—H116	119.4	C425—C424—C423	120.3 (6)
C122—C121—C126	119.5 (5)	C425—C424—H424	119.8
C122—C121—P1	120.5 (4)	C423—C424—H424	119.8
C126—C121—P1	120.0 (4)	C424—C425—C426	120.8 (6)
C121—C122—C123	119.3 (6)	C424—C425—H425	119.6
C121—C122—H122	120.3	C426—C425—H425	119.6
C123—C122—H122	120.3	C425—C426—C421	119.9 (5)
C124—C123—C122	120.4 (6)	C425—C426—H426	120.1
C124—C123—H123	119.8	C421—C426—H426	120.1
Au2—Au1—P1—C121	118.83 (19)	C12—P2—C211—C212	171.0 (4)
Au2—Au1—P1—C111	−122.84 (18)	Au2—P2—C211—C212	49.6 (4)
Au2—Au1—P1—C11	−5.49 (18)	C216—C211—C212—C213	−2.3 (7)
O3—S1—C1—F3	−58.3 (5)	P2—C211—C212—C213	−179.2 (4)
O2—S1—C1—F3	62.9 (5)	C211—C212—C213—C214	2.0 (8)
O1—S1—C1—F3	−178.2 (4)	C212—C213—C214—C215	−1.4 (8)
O3—S1—C1—F2	−178.7 (4)	C213—C214—C215—C216	1.0 (8)
O2—S1—C1—F2	−57.6 (5)	C214—C215—C216—C211	−1.3 (8)
O1—S1—C1—F2	61.4 (5)	C212—C211—C216—C215	1.9 (7)
O3—S1—C1—F1	62.3 (5)	P2—C211—C216—C215	178.6 (4)
O2—S1—C1—F1	−176.5 (4)	C211—P2—C221—C226	−70.3 (5)
O1—S1—C1—F1	−57.6 (5)	C12—P2—C221—C226	43.1 (5)
P1—Au1—Au2—P4	130.95 (5)	Au2—P2—C221—C226	165.1 (4)
P3—Au1—Au2—P4	−46.89 (5)	C211—P2—C221—C222	109.6 (4)
P1—Au1—Au2—P2	−47.11 (5)	C12—P2—C221—C222	−136.9 (4)
P3—Au1—Au2—P2	135.05 (5)	Au2—P2—C221—C222	−15.0 (5)
Au1—Au2—P2—C221	−46.58 (18)	C226—C221—C222—C223	−1.1 (8)
Au1—Au2—P2—C211	−167.81 (18)	P2—C221—C222—C223	179.0 (4)
Au1—Au2—P2—C12	73.24 (19)	C221—C222—C223—C224	0.3 (8)
O6—S2—C2—F6	−60.5 (5)	C222—C223—C224—C225	0.2 (8)
O5—S2—C2—F6	61.5 (5)	C223—C224—C225—C226	0.1 (8)
O4—S2—C2—F6	−179.1 (4)	C224—C225—C226—C221	−0.8 (8)
O6—S2—C2—F4	60.9 (5)	C222—C221—C226—C225	1.4 (8)
O5—S2—C2—F4	−177.0 (4)	P2—C221—C226—C225	−178.7 (4)
O4—S2—C2—F4	−57.7 (5)	C321—P3—C311—C312	−102.9 (5)
O6—S2—C2—F5	−179.8 (4)	C21—P3—C311—C312	11.5 (5)
O5—S2—C2—F5	−57.7 (5)	Au1—P3—C311—C312	136.3 (4)
O4—S2—C2—F5	61.6 (5)	C321—P3—C311—C316	77.4 (5)
Au2—Au1—P3—C321	119.99 (19)	C21—P3—C311—C316	−168.2 (4)
Au2—Au1—P3—C311	−121.21 (18)	Au1—P3—C311—C316	−43.4 (5)
Au2—Au1—P3—C21	−3.91 (19)	C316—C311—C312—C313	−2.1 (8)
Au1—Au2—P4—C421	−48.35 (18)	P3—C311—C312—C313	178.2 (4)
Au1—Au2—P4—C411	−172.49 (19)	C311—C312—C313—C314	0.8 (8)
Au1—Au2—P4—C22	73.23 (19)	C312—C313—C314—C315	0.6 (9)
C121—P1—C11—C12	−55.4 (4)	C313—C314—C315—C316	−0.6 (9)
C111—P1—C11—C12	−168.2 (4)	C314—C315—C316—C311	−0.7 (9)
Au1—P1—C11—C12	73.1 (4)	C312—C311—C316—C315	2.1 (8)
P1—C11—C12—P2	−56.9 (5)	P3—C311—C316—C315	−178.2 (4)
C221—P2—C12—C11	94.4 (4)	C311—P3—C321—C326	−89.9 (5)
C211—P2—C12—C11	−151.8 (4)	C21—P3—C321—C326	158.0 (4)
Au2—P2—C12—C11	−29.0 (4)	Au1—P3—C321—C326	29.3 (5)
C321—P3—C21—C22	−58.8 (4)	C311—P3—C321—C322	91.9 (5)
C311—P3—C21—C22	−173.5 (4)	C21—P3—C321—C322	−20.2 (5)
Au1—P3—C21—C22	66.8 (4)	Au1—P3—C321—C322	−149.0 (4)
P3—C21—C22—P4	−51.2 (5)	C326—C321—C322—C323	−0.1 (8)
C421—P4—C22—C21	91.8 (4)	P3—C321—C322—C323	178.2 (4)
C411—P4—C22—C21	−153.6 (4)	C321—C322—C323—C324	1.5 (8)
Au2—P4—C22—C21	−33.0 (4)	C322—C323—C324—C325	−1.5 (9)
C121—P1—C111—C112	−112.8 (5)	C323—C324—C325—C326	0.0 (9)
C11—P1—C111—C112	−0.3 (5)	C322—C321—C326—C325	−1.4 (8)
Au1—P1—C111—C112	124.0 (4)	P3—C321—C326—C325	−179.7 (4)
C121—P1—C111—C116	69.1 (5)	C324—C325—C326—C321	1.4 (9)
C11—P1—C111—C116	−178.5 (4)	C421—P4—C411—C412	−163.5 (4)
Au1—P1—C111—C116	−54.2 (4)	C22—P4—C411—C412	83.2 (5)
C116—C111—C112—C113	−0.3 (8)	Au2—P4—C411—C412	−37.0 (5)
P1—C111—C112—C113	−178.4 (4)	C421—P4—C411—C416	18.7 (5)
C111—C112—C113—C114	1.3 (8)	C22—P4—C411—C416	−94.7 (5)
C112—C113—C114—C115	−2.6 (9)	Au2—P4—C411—C416	145.1 (4)
C113—C114—C115—C116	2.8 (9)	C416—C411—C412—C413	0.3 (8)
C114—C115—C116—C111	−1.8 (8)	P4—C411—C412—C413	−177.6 (4)
C112—C111—C116—C115	0.5 (8)	C411—C412—C413—C414	−0.8 (9)
P1—C111—C116—C115	178.7 (4)	C412—C413—C414—C415	1.0 (9)
C111—P1—C121—C122	−106.2 (4)	C413—C414—C415—C416	−0.6 (9)
C11—P1—C121—C122	142.1 (4)	C412—C411—C416—C415	0.0 (8)
Au1—P1—C121—C122	12.6 (5)	P4—C411—C416—C415	177.8 (4)
C111—P1—C121—C126	74.7 (5)	C414—C415—C416—C411	0.1 (9)
C11—P1—C121—C126	−37.1 (5)	C411—P4—C421—C422	107.3 (4)
Au1—P1—C121—C126	−166.5 (4)	C22—P4—C421—C422	−142.9 (4)
C126—C121—C122—C123	0.8 (8)	Au2—P4—C421—C422	−18.8 (5)
P1—C121—C122—C123	−178.3 (4)	C411—P4—C421—C426	−75.3 (5)
C121—C122—C123—C124	−0.2 (9)	C22—P4—C421—C426	34.5 (5)
C122—C123—C124—C125	−0.4 (9)	Au2—P4—C421—C426	158.6 (4)
C123—C124—C125—C126	0.3 (9)	C426—C421—C422—C423	−0.3 (8)
C124—C125—C126—C121	0.3 (8)	P4—C421—C422—C423	177.1 (4)
C122—C121—C126—C125	−0.9 (8)	C421—C422—C423—C424	−1.4 (8)
P1—C121—C126—C125	178.3 (4)	C422—C423—C424—C425	2.8 (9)
C221—P2—C211—C216	108.1 (4)	C423—C424—C425—C426	−2.5 (9)
C12—P2—C211—C216	−5.8 (5)	C424—C425—C426—C421	0.7 (8)
Au2—P2—C211—C216	−127.2 (4)	C422—C421—C426—C425	0.7 (8)
C221—P2—C211—C212	−75.2 (4)	P4—C421—C426—C425	−176.7 (4)

D—H···A	D—H	H···A	D···A	D—H···A
C212—H212···O1i	0.95	2.45	3.387 (7)	171
C21—H21B···O1i	0.99	2.34	3.268 (7)	155
C11—H11B···O4ii	0.99	2.36	3.301 (7)	158

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C212—H212⋯O1i	0.95	2.45	3.387 (7)	171
C21—H21B⋯O1i	0.99	2.34	3.268 (7)	155
C11—H11B⋯O4ii	0.99	2.36	3.301 (7)	158

Symmetry codes: (i) ; (ii) .