Dichlorido(4,4'-di-tert-butyl-2,2'-bi-pyridine-κN,N')gold(III) tetrachlorido-aurate(III) acetonitrile solvate.

In the title compound, [AuCl(2)(C(9)H(12)N)(2)][AuCl(4)]·C(2)H(3)N, there is a mirror plane passing through Au and the central C-C bond of the bipyridyl ligand in the cation, and through Au and two Cl atoms of the anion. A cis-AuCl(2)N(2) square-planar geometry for the cation and a square-planar AuCl(4) geometry for the anion result. The two C atoms and the N atom of the acetonitrile mol-ecule all have m site symmetries. In the crystal structure, weak C-H⋯Cl inter-actions may help to establish the packing.

Related literature

For related structures, see: Abbate et al. (2000 ▶); Adams & Strähle (1982 ▶); Bjernemose et al. (2004 ▶); Hayoun et al. (2006 ▶); McInnes et al. (1995 ▶).

Experimental

Crystal data

[AuCl2(C9H12N)2][AuCl4]·C2H3N

M = 916.09

Monoclinic,

a = 6.7880 (9) Å

b = 14.2270 (19) Å

c = 14.1330 (19) Å

β = 97.151 (2)°

V = 1354.3 (3) Å3

Z = 2

Mo Kα radiation

μ = 11.43 mm−1

T = 150 (2) K

0.14 × 0.10 × 0.01 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ▶) T min = 0.298, T max = 0.894

14949 measured reflections

3888 independent reflections

2860 reflections with I > 2σ(I)

R int = 0.060

Refinement

R[F 2 > 2σ(F 2)] = 0.036

wR(F 2) = 0.079

S = 1.01

3888 reflections

155 parameters

H-atom parameters constrained

Δρmax = 1.59 e Å−3

Δρmin = −1.24 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005 ▶); program(s) used to solve structure: SIR92 (Altomare et al., 1993 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808025646/hb2776sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808025646/hb2776Isup2.hkl

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

[AuCl2(C9H12N1)2][AuCl4]·C2H3N	F000 = 856
Mr = 916.09	Dx = 2.247 Mg m−3
Monoclinic, P21/m	Mo Kα radiation λ = 0.71069 Å
Hall symbol: -P 2yb	Cell parameters from 2450 reflections
a = 6.7880 (9) Å	θ = 2.9–24.8º
b = 14.2270 (19) Å	µ = 11.43 mm−1
c = 14.1330 (19) Å	T = 150 (2) K
β = 97.151 (2)º	Lath, yellow
V = 1354.3 (3) Å3	0.14 × 0.10 × 0.01 mm
Z = 2

Bruker APEXII CCD diffractometer	3888 independent reflections
Radiation source: sealed tube	2860 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.060
T = 150(2) K	θmax = 29.5º
φ and ω scans	θmin = 2.0º
Absorption correction: multi-scan(SADABS; Sheldrick, 2003)	h = −9→9
Tmin = 0.298, Tmax = 0.894	k = −19→19
14949 measured reflections	l = −19→18

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.036	H-atom parameters constrained
wR(F2) = 0.079	w = 1/[σ2(Fo2) + (0.0318P)2] where P = (Fo2 + 2Fc2)/3
S = 1.01	(Δ/σ)max < 0.001
3888 reflections	Δρmax = 1.60 e Å−3
155 parameters	Δρmin = −1.24 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating -R-factor-obs 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	Occ. (<1)
Au1	0.23789 (4)	0.25000	−0.04727 (2)	0.0241 (1)
Cl1	0.2075 (2)	0.13933 (12)	−0.16278 (11)	0.0366 (5)
N1	0.2670 (6)	0.3421 (3)	0.0624 (3)	0.0238 (14)
C1	0.3143 (8)	0.3571 (4)	0.2320 (4)	0.0258 (17)
C2	0.2920 (7)	0.3000 (4)	0.1509 (4)	0.0222 (16)
C3	0.2636 (8)	0.4365 (4)	0.0544 (4)	0.0286 (17)
C4	0.2861 (8)	0.4940 (4)	0.1338 (4)	0.0303 (17)
C5	0.3113 (8)	0.4559 (4)	0.2252 (4)	0.0277 (17)
C6	0.3361 (8)	0.5158 (4)	0.3150 (4)	0.0287 (17)
C7	0.5416 (9)	0.4930 (4)	0.3701 (4)	0.0345 (19)
C8	0.1694 (9)	0.4913 (4)	0.3758 (4)	0.0333 (19)
C9	0.3254 (9)	0.6207 (4)	0.2926 (5)	0.035 (2)
N2	0.3784 (17)	0.25000	0.4696 (8)	0.066 (4)
C10	0.104 (2)	0.25000	0.5775 (11)	0.087 (6)
C11	0.2608 (17)	0.25000	0.5153 (9)	0.049 (4)
Au2	0.79109 (4)	0.25000	0.14539 (2)	0.0258 (1)
Cl2	0.8353 (4)	0.25000	0.30734 (16)	0.0402 (8)
Cl3	0.7908 (2)	0.40938 (11)	0.14566 (12)	0.0363 (5)
Cl4	0.7455 (3)	0.25000	−0.01937 (17)	0.0364 (7)
H1	0.33140	0.32920	0.29200	0.0310*
H3	0.24570	0.46360	−0.00600	0.0340*
H4	0.28430	0.55890	0.12610	0.0360*
H7A	0.64220	0.50110	0.32870	0.0520*
H7B	0.54290	0.42920	0.39220	0.0520*
H7C	0.56740	0.53460	0.42370	0.0520*
H8A	0.18300	0.52950	0.43220	0.0500*
H8B	0.17890	0.42610	0.39360	0.0500*
H8C	0.04260	0.50290	0.33950	0.0500*
H9A	0.43180	0.63750	0.25710	0.0520*
H9B	0.33720	0.65570	0.35110	0.0520*
H9C	0.20060	0.63480	0.25560	0.0520*
H10A	0.07320	0.18640	0.59320	0.1300*	0.500
H10B	−0.01270	0.27970	0.54530	0.1300*	0.500
H10C	0.14820	0.28390	0.63500	0.1300*	0.500

	U11	U22	U33	U12	U13	U23
Au1	0.0226 (2)	0.0279 (2)	0.0216 (2)	0.0000	0.0016 (1)	0.0000
Cl1	0.0483 (9)	0.0351 (8)	0.0257 (8)	0.0000 (7)	0.0023 (7)	−0.0050 (7)
N1	0.023 (2)	0.024 (2)	0.024 (3)	−0.0009 (19)	0.0014 (19)	−0.003 (2)
C1	0.023 (3)	0.025 (3)	0.029 (3)	0.002 (2)	0.002 (2)	0.004 (2)
C2	0.014 (2)	0.038 (3)	0.015 (3)	0.000 (2)	0.003 (2)	0.001 (2)
C3	0.033 (3)	0.029 (3)	0.024 (3)	−0.001 (3)	0.004 (2)	0.002 (3)
C4	0.032 (3)	0.025 (3)	0.033 (3)	−0.001 (2)	0.000 (3)	0.000 (3)
C5	0.021 (3)	0.032 (3)	0.031 (3)	−0.001 (2)	0.007 (2)	−0.001 (3)
C6	0.029 (3)	0.024 (3)	0.032 (3)	0.005 (2)	0.000 (3)	−0.002 (3)
C7	0.036 (3)	0.036 (4)	0.030 (3)	0.002 (3)	−0.002 (3)	−0.006 (3)
C8	0.034 (3)	0.035 (4)	0.031 (3)	−0.002 (3)	0.004 (3)	−0.007 (3)
C9	0.036 (3)	0.035 (4)	0.032 (4)	−0.001 (3)	−0.001 (3)	−0.003 (3)
N2	0.081 (8)	0.053 (6)	0.068 (7)	0.0000	0.020 (6)	0.0000
C10	0.109 (12)	0.079 (10)	0.080 (10)	0.0000	0.043 (9)	0.0000
C11	0.061 (7)	0.035 (6)	0.051 (7)	0.0000	0.012 (6)	0.0000
Au2	0.0194 (2)	0.0261 (2)	0.0318 (2)	0.0000	0.0033 (1)	0.0000
Cl2	0.0509 (14)	0.0399 (13)	0.0290 (12)	0.0000	0.0018 (10)	0.0000
Cl3	0.0365 (8)	0.0275 (8)	0.0448 (10)	−0.0009 (6)	0.0046 (7)	0.0040 (7)
Cl4	0.0272 (10)	0.0439 (13)	0.0377 (12)	0.0000	0.0022 (9)	0.0000

Au1—Cl1	2.2590 (17)	C1—H1	0.9300
Au1—N1	2.020 (4)	C3—H3	0.9300
Au1—Cl1i	2.2590 (17)	C4—H4	0.9300
Au1—N1i	2.020 (4)	C7—H7B	0.9600
Au2—Cl2	2.271 (2)	C7—H7A	0.9600
Au2—Cl3	2.2675 (16)	C7—H7C	0.9600
Au2—Cl4	2.311 (2)	C8—H8A	0.9600
Au2—Cl3i	2.2675 (16)	C8—H8C	0.9600
N1—C3	1.348 (7)	C8—H8B	0.9600
N1—C2	1.378 (7)	C9—H9B	0.9600
N2—C11	1.088 (17)	C9—H9C	0.9600
C1—C5	1.409 (8)	C9—H9A	0.9600
C1—C2	1.398 (8)	C10—C11	1.462 (19)
C2—C2i	1.423 (8)	C10—H10Bi	0.9600
C3—C4	1.382 (8)	C10—H10Ci	0.9600
C4—C5	1.392 (8)	C10—H10Ai	0.9600
C5—C6	1.521 (8)	C10—H10A	0.9600
C6—C8	1.544 (8)	C10—H10B	0.9600
C6—C9	1.526 (8)	C10—H10C	0.9600
C6—C7	1.545 (8)
Cl1—Au1—N1	176.24 (13)	H7A—C7—H7C	109.00
Cl1—Au1—Cl1i	88.38 (6)	C6—C7—H7C	109.00
Cl1—Au1—N1i	95.38 (13)	H7A—C7—H7B	109.00
Cl1i—Au1—N1	95.38 (13)	H7B—C7—H7C	109.00
N1—Au1—N1i	80.86 (17)	C6—C8—H8C	110.00
Cl1i—Au1—N1i	176.24 (13)	C6—C8—H8A	109.00
Cl2—Au2—Cl3i	89.91 (4)	C6—C8—H8B	109.00
Cl2—Au2—Cl3	89.91 (4)	H8A—C8—H8B	109.00
Cl2—Au2—Cl4	179.90 (8)	H8A—C8—H8C	109.00
Cl3i—Au2—Cl4	90.10 (4)	H8B—C8—H8C	109.00
Cl3—Au2—Cl4	90.10 (4)	H9A—C9—H9B	109.00
Cl3—Au2—Cl3i	179.77 (6)	H9A—C9—H9C	110.00
Au1—N1—C2	113.8 (3)	H9B—C9—H9C	110.00
Au1—N1—C3	125.7 (4)	C6—C9—H9A	109.00
C2—N1—C3	120.5 (5)	C6—C9—H9B	109.00
C2—C1—C5	121.7 (5)	C6—C9—H9C	109.00
C1—C2—C2i	125.5 (5)	N2—C11—C10	179.5 (14)
N1—C2—C2i	115.8 (5)	C11—C10—H10Ci	110.00
N1—C2—C1	118.7 (5)	C11—C10—H10A	110.00
N1—C3—C4	121.5 (5)	C11—C10—H10B	110.00
C3—C4—C5	120.8 (5)	C11—C10—H10C	110.00
C1—C5—C6	120.2 (5)	C11—C10—H10Ai	110.00
C1—C5—C4	116.8 (5)	C11—C10—H10Bi	110.00
C4—C5—C6	123.0 (5)	H10Ai—C10—H10B	60.00
C8—C6—C9	108.5 (5)	H10B—C10—H10Bi	52.00
C5—C6—C7	107.6 (4)	H10B—C10—H10Ci	141.00
C5—C6—C8	109.0 (5)	H10Ai—C10—H10C	52.00
C5—C6—C9	112.2 (5)	H10Bi—C10—H10C	141.00
C7—C6—C8	110.5 (5)	H10C—C10—H10Ci	60.00
C7—C6—C9	109.1 (5)	H10Ai—C10—H10Bi	109.00
C5—C1—H1	119.00	H10Ai—C10—H10Ci	109.00
C2—C1—H1	119.00	H10Bi—C10—H10Ci	109.00
N1—C3—H3	119.00	H10A—C10—H10B	109.00
C4—C3—H3	119.00	H10A—C10—H10C	109.00
C5—C4—H4	120.00	H10A—C10—H10Ai	141.00
C3—C4—H4	120.00	H10A—C10—H10Bi	60.00
C6—C7—H7B	109.00	H10A—C10—H10Ci	52.00
C6—C7—H7A	109.00	H10B—C10—H10C	109.00
Cl1i—Au1—N1—C2	−179.5 (3)	N1—C2—C2i—N1i	0.0 (6)
Cl1i—Au1—N1—C3	0.5 (4)	N1—C2—C2i—C1i	−179.8 (5)
N1i—Au1—N1—C2	0.5 (3)	C1—C2—C2i—N1i	179.8 (5)
N1i—Au1—N1—C3	−179.6 (4)	C1—C2—C2i—C1i	0.0 (8)
Au1—N1—C2—C1	179.8 (4)	N1—C3—C4—C5	−0.6 (8)
Au1—N1—C2—C2i	−0.4 (5)	C3—C4—C5—C1	0.6 (8)
C3—N1—C2—C1	−0.2 (7)	C3—C4—C5—C6	−179.8 (5)
C3—N1—C2—C2i	179.6 (5)	C1—C5—C6—C7	60.9 (6)
Au1—N1—C3—C4	−179.6 (4)	C1—C5—C6—C8	−58.9 (7)
C2—N1—C3—C4	0.4 (8)	C1—C5—C6—C9	−179.1 (5)
C5—C1—C2—N1	0.2 (8)	C4—C5—C6—C7	−118.7 (6)
C5—C1—C2—C2i	−179.6 (5)	C4—C5—C6—C8	121.4 (6)
C2—C1—C5—C4	−0.3 (8)	C4—C5—C6—C9	1.3 (8)
C2—C1—C5—C6	−180.0 (5)

D—H···A	D—H	H···A	D···A	D—H···A
C3—H3···Cl3ii	0.93	2.66	3.561 (6)	162
C3—H3···Cl1i	0.93	2.64	3.231 (6)	122

Au1—Cl1	2.2590 (17)
Au1—N1	2.020 (4)
Au2—Cl2	2.271 (2)
Au2—Cl3	2.2675 (16)
Au2—Cl4	2.311 (2)

N2—C11—C10

179.5 (14)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C3—H3⋯Cl3i	0.93	2.66	3.561 (6)	162
C3—H3⋯Cl1ii	0.93	2.64	3.231 (6)	122

Symmetry codes: (i) ; (ii) .