[μ-1,3-Bis(diphenyl­phosphino)propane-κ2P:P′]bis­[bromidogold(I)]

Mohr, F.; Molter, A.; Tiekink, E.R.T.

doi:10.1107/S1600536810001406

metal-organic compounds

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ISSN: 2056-9890

Volume 66| Part 2| February 2010| Page m167

https://doi.org/10.1107/S1600536810001406

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[μ-1,3-Bis(diphenylphosphino)propane-κ²P:P′]bis[bromidogold(I)]

Fabian Mohr,^a ‡ Anja Molter ^a and Edward R. T. Tiekink ^b ^*

^aFachbereich C – Anorganische Chemie, Bergische Universität Wuppertal, 42119 Wuppertal, Germany, and ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
^*Correspondence e-mail: edward.tiekink@gmail.com

(Received 22 December 2009; accepted 11 January 2010; online 16 January 2010)

The title compound, [Au₂Br₂(C₂₇H₂₆P₂)], features linearly coordinated Au^I atoms within P,Br-donor sets. The central portion of the molecule is practically planar as quantified by the Br–Au⋯Au–Br torsion angle of −169.9 (2)°. The P—Au—Br chromophores are twisted with respect to each other [dihedral angle = 52.3 (6)°]. The benzene rings on each P atom lie on either side of this plane. The Au atoms are positioned at the periphery of the molecule, which facilitates the formation of Au⋯Au interactions [3.2575 (11) Å] that result in the formation of supramolecular chains along the b-axis direction. The Au⋯Au interactions are responsible for the deviations from the ideal linear geometry for each Au atom.

Related literature

For polymorphic structures of the chlorido analogue of the title compound, see: Cooper et al. (1984 ); Kaim et al. (2005 ). For background to related studies in gold chemistry, see: Gallenkamp et al. (2009 ).

Experimental

Crystal data

[Au₂Br₂(C₂₇H₂₆P₂)]
M_r = 966.17
Orthorhombic, P b c n
a = 19.610 (5) Å
b = 14.322 (4) Å
c = 19.958 (5) Å
V = 5605 (2) Å³
Z = 8
Mo Kα radiation
μ = 13.44 mm⁻¹
T = 98 K
0.35 × 0.09 × 0.04 mm

Data collection

Rigaku AFC12/SATURN724 diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ) T_min = 0.355, T_max = 1
33240 measured reflections
5794 independent reflections
5470 reflections with I > 2σ(I)
R_int = 0.073

Refinement

R[F² > 2σ(F²)] = 0.058
wR(F²) = 0.139
S = 1.23
5794 reflections
298 parameters
H-atom parameters constrained
Δρ_max = 2.34 e Å⁻³
Δρ_min = −2.69 e Å⁻³

Table 1
Selected geometric parameters (Å, °)

Au1—Br1	2.4128 (13)
Au1—P1	2.246 (3)
Au2—Br2	2.4170 (12)
Au2—P2	2.258 (3)

P1—Au1—Br1	171.73 (7)
P2—Au2—Br2	174.31 (8)

Data collection: CrystalClear (Rigaku/MSC, 2005 ); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997 ) and DIAMOND (Brandenburg, 2006 ); software used to prepare material for publication: publCIF (Westrip, 2010 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: https://doi.org/10.1107/S1600536810001406/hg2623sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810001406/hg2623Isup2.hkl

checkCIF report

Comment top

The title compound (I) was prepared as a precursor material during studies into the biological activity of phosphinegold(I) thiolates (Gallenkamp et al., 2009). The molecular structure of (I), Fig. 1, features two linearly coordinated Au atoms defined by P and Br donor atoms, Table 1. The pairs of Au–Br and Au–P bond distances are equal within experimental error, Table 1. The central part of the molecule is approximately planar as quantified by the torsion angle Br1–Au1···Au2–Br2 of -169.91 (21) °. The propylene bridge and phosphorus atoms lie in this plane with the two benzene rings, one from each phosphorus atom, above and below the plane. The P–Au–Br chromophores are approximately orthogonal to each other. The deviations from the ideal linear geometries about the gold atoms are likely to arise from the formation of intermolecular Au···Au interactions. Each of the gold atoms lies external to but on different sides of the molecule to facilitate the formation of aurophilic, Au···Au, interactions [Au1···Au2ⁱ = 3.2575 (11) Å for i: 1/2 - x, -1/2 + y, z]. These interactions result in the formation of a supramolecular chain along the b axis, Fig. 2, and are likely responsible for the distortions from the ideal linear geometries for the gold atoms, Table 1.

Compound (I) is isomorphous with the chloro analogue (Cooper et al., 1984) for which the intermolecular Au···Au distance was 3.316 (9) Å. A second polymorph of the chloro derivative is known which adopts a closo structure with an intramolecular Au···Au interaction of 3.2368 (9) Å (Kaim et al., 2005).

Related literature top

For polymorphic structures of the chloro analogue of the title compound, see: Cooper et al. (1984); Kaim et al. (2005). For background to related studies in gold chemistry, see: Gallenkamp et al. (2009).

Experimental top

Crystals of (dppp)Au₂Br₂ were isolated from an attempted reaction of (dppp)Au₂Br₂ with a selenourea ligand in the presence of a base in CH₂2Cl₂ solution (Gallenkamp et al., 2009).

Structure description top

Computing details top

Data collection: CrystalClear (Rigaku/MSC, 2005); cell refinement: CrystalClear (Rigaku/MSC, 2005); data reduction: CrystalClear (Rigaku/MSC, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top

	Fig. 1. Molecular structure of (I), showing atom-labelling scheme and displacement ellipsoids at the 50% probability level.
	Fig. 2. A view of the supramolecular chain in (I) mediated by Au···Au interactions (orange dashed lines). Color code: Au, orange; Br, olive; P, pink; C, grey; and H, green.

[µ-1,3-Bis(diphenylphosphino)propane- κ²P:P']bis[bromidogold(I)] top

Crystal data top

[Au₂Br₂(C₂₇H₂₆P₂)]	F(000) = 3568
M_r = 966.17	D_x = 2.290 Mg m⁻³
Orthorhombic, Pbcn	Mo Kα radiation, λ = 0.71070 Å
Hall symbol: -P 2n 2ab	Cell parameters from 32332 reflections
a = 19.610 (5) Å	θ = 2.0–40.7°
b = 14.322 (4) Å	µ = 13.44 mm⁻¹
c = 19.958 (5) Å	T = 98 K
V = 5605 (2) Å³	Plate, light-brown
Z = 8	0.35 × 0.09 × 0.04 mm

Data collection top

Rigaku AFC12K/SATURN724 diffractometer	5794 independent reflections
Radiation source: fine-focus sealed tube	5470 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.073
ω scans	θ_max = 26.5°, θ_min = 1.8°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −24→24
T_min = 0.355, T_max = 1	k = −17→17
33240 measured reflections	l = −25→20

Refinement top

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)] = 0.058	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.139	H-atom parameters constrained
S = 1.23	w = 1/[σ²(F_o²) + (0.0548P)² + 72.0449P] where P = (F_o² + 2F_c²)/3
5794 reflections	(Δ/σ)_max = 0.001
298 parameters	Δρ_max = 2.34 e Å⁻³
0 restraints	Δρ_min = −2.69 e Å⁻³

Crystal data top

[Au₂Br₂(C₂₇H₂₆P₂)]	V = 5605 (2) Å³
M_r = 966.17	Z = 8
Orthorhombic, Pbcn	Mo Kα radiation
a = 19.610 (5) Å	µ = 13.44 mm⁻¹
b = 14.322 (4) Å	T = 98 K
c = 19.958 (5) Å	0.35 × 0.09 × 0.04 mm

Data collection top

Rigaku AFC12K/SATURN724 diffractometer	5794 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	5470 reflections with I > 2σ(I)
T_min = 0.355, T_max = 1	R_int = 0.073
33240 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.058	0 restraints
wR(F²) = 0.139	H-atom parameters constrained
S = 1.23	w = 1/[σ²(F_o²) + (0.0548P)² + 72.0449P] where P = (F_o² + 2F_c²)/3
5794 reflections	Δρ_max = 2.34 e Å⁻³
298 parameters	Δρ_min = −2.69 e Å⁻³

Special details top

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Au1	0.14604 (2)	0.53723 (3)	0.620369 (19)	0.01793 (13)
Au2	0.21598 (2)	0.98204 (3)	0.538567 (18)	0.01725 (13)
Br1	0.13248 (6)	0.37156 (7)	0.63780 (5)	0.0240 (2)
Br2	0.15705 (6)	1.05983 (8)	0.62910 (5)	0.0257 (3)
P1	0.14836 (14)	0.69395 (18)	0.61668 (12)	0.0166 (5)
P2	0.26129 (14)	0.90170 (19)	0.45196 (12)	0.0160 (5)
C1	0.2237 (6)	0.7464 (7)	0.5797 (5)	0.018 (2)
H1A	0.2210	0.8150	0.5853	0.021*
H1B	0.2644	0.7243	0.6043	0.021*
C2	0.2331 (6)	0.7243 (7)	0.5047 (5)	0.020 (2)
H2A	0.2445	0.6574	0.4993	0.024*
H2B	0.1898	0.7364	0.4807	0.024*
C3	0.2900 (6)	0.7840 (7)	0.4738 (5)	0.017 (2)
H3A	0.3072	0.7527	0.4329	0.021*
H3B	0.3283	0.7886	0.5059	0.021*
C4	0.1402 (6)	0.7438 (8)	0.6997 (5)	0.020 (2)
C5	0.0974 (6)	0.6998 (8)	0.7471 (5)	0.025 (2)
H5	0.0774	0.6411	0.7371	0.030*
C6	0.0845 (6)	0.7424 (9)	0.8087 (5)	0.030 (3)
H6	0.0560	0.7119	0.8404	0.036*
C7	0.1123 (6)	0.8278 (8)	0.8241 (5)	0.028 (3)
H7	0.1017	0.8571	0.8655	0.034*
C8	0.1573 (7)	0.8723 (9)	0.7779 (6)	0.029 (3)
H8	0.1782	0.9300	0.7892	0.035*
C9	0.1704 (6)	0.8308 (7)	0.7165 (5)	0.022 (2)
H9	0.1998	0.8608	0.6854	0.026*
C10	0.0788 (6)	0.7460 (8)	0.5690 (5)	0.023 (2)
C11	0.0562 (5)	0.8379 (8)	0.5832 (5)	0.021 (2)
H11	0.0748	0.8717	0.6198	0.025*
C12	0.0060 (7)	0.8779 (9)	0.5424 (6)	0.036 (3)
H12	−0.0098	0.9392	0.5520	0.043*
C13	−0.0212 (6)	0.8300 (9)	0.4881 (6)	0.032 (3)
H13	−0.0556	0.8578	0.4613	0.039*
C14	0.0028 (7)	0.7409 (9)	0.4736 (6)	0.033 (3)
H14	−0.0148	0.7086	0.4358	0.039*
C15	0.0514 (6)	0.6983 (8)	0.5129 (5)	0.026 (2)
H15	0.0665	0.6370	0.5025	0.031*
C16	0.1996 (5)	0.8807 (7)	0.3852 (5)	0.017 (2)
C17	0.1306 (6)	0.9081 (9)	0.3939 (6)	0.028 (3)
H17	0.1167	0.9401	0.4333	0.033*
C18	0.0837 (7)	0.8871 (9)	0.3435 (6)	0.032 (3)
H18	0.0377	0.9067	0.3482	0.038*
C19	0.1032 (7)	0.8381 (9)	0.2867 (5)	0.033 (3)
H19	0.0704	0.8230	0.2534	0.039*
C20	0.1712 (7)	0.8111 (9)	0.2783 (5)	0.028 (3)
H20	0.1846	0.7782	0.2392	0.034*
C21	0.2197 (6)	0.8326 (9)	0.3281 (5)	0.026 (2)
H21	0.2659	0.8142	0.3226	0.032*
C22	0.3332 (6)	0.9573 (8)	0.4126 (5)	0.021 (2)
C23	0.3253 (8)	1.0161 (11)	0.3567 (7)	0.044 (4)
H23	0.2809	1.0268	0.3393	0.053*
C24	0.3804 (8)	1.0586 (10)	0.3266 (7)	0.040 (3)
H24	0.3737	1.0967	0.2882	0.049*
C25	0.4445 (7)	1.0462 (9)	0.3514 (6)	0.032 (3)
H25	0.4822	1.0758	0.3305	0.038*
C26	0.4542 (6)	0.9906 (8)	0.4069 (6)	0.027 (3)
H26	0.4988	0.9837	0.4249	0.033*
C27	0.4003 (6)	0.9448 (8)	0.4369 (6)	0.024 (2)
H27	0.4084	0.9048	0.4740	0.029*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Au1	0.0139 (2)	0.0208 (2)	0.0191 (2)	−0.00115 (14)	−0.00109 (14)	0.00287 (14)
Au2	0.0146 (2)	0.0192 (2)	0.0179 (2)	0.00048 (15)	0.00127 (14)	0.00027 (13)
Br1	0.0204 (6)	0.0247 (5)	0.0271 (5)	0.0012 (4)	−0.0007 (4)	0.0003 (4)
Br2	0.0236 (6)	0.0273 (5)	0.0261 (5)	0.0012 (4)	0.0050 (4)	−0.0038 (4)
P1	0.0129 (14)	0.0184 (12)	0.0186 (12)	−0.0024 (10)	−0.0020 (10)	0.0024 (9)
P2	0.0102 (13)	0.0218 (13)	0.0160 (11)	−0.0023 (10)	0.0021 (9)	0.0014 (9)
C1	0.017 (6)	0.014 (4)	0.022 (5)	0.000 (4)	0.003 (4)	0.002 (4)
C2	0.023 (6)	0.026 (5)	0.012 (4)	0.000 (4)	−0.003 (4)	0.001 (4)
C3	0.017 (6)	0.019 (5)	0.015 (4)	0.003 (4)	0.003 (4)	0.005 (4)
C4	0.012 (6)	0.033 (6)	0.015 (4)	0.001 (4)	0.005 (4)	0.009 (4)
C5	0.025 (7)	0.029 (6)	0.021 (5)	0.003 (5)	0.002 (5)	0.008 (4)
C6	0.021 (7)	0.048 (7)	0.020 (5)	0.004 (5)	0.004 (4)	0.010 (5)
C7	0.026 (7)	0.037 (6)	0.021 (5)	0.011 (5)	0.007 (5)	0.000 (4)
C8	0.024 (7)	0.035 (6)	0.028 (5)	0.004 (5)	−0.005 (5)	−0.001 (5)
C9	0.025 (6)	0.026 (5)	0.014 (4)	−0.005 (4)	−0.004 (4)	0.002 (4)
C10	0.013 (6)	0.028 (6)	0.029 (5)	−0.007 (4)	0.003 (4)	0.015 (4)
C11	0.008 (5)	0.034 (6)	0.021 (5)	0.000 (4)	0.000 (4)	0.005 (4)
C12	0.034 (8)	0.040 (7)	0.034 (6)	0.010 (6)	0.008 (5)	0.022 (5)
C13	0.013 (6)	0.051 (8)	0.033 (6)	0.006 (5)	0.000 (5)	0.016 (5)
C14	0.028 (8)	0.044 (7)	0.025 (5)	−0.019 (6)	−0.012 (5)	0.014 (5)
C15	0.012 (6)	0.038 (6)	0.027 (5)	−0.003 (5)	0.000 (4)	0.002 (5)
C16	0.011 (5)	0.027 (5)	0.014 (4)	−0.001 (4)	−0.001 (4)	0.005 (4)
C17	0.009 (6)	0.043 (7)	0.031 (6)	−0.004 (5)	0.006 (4)	0.008 (5)
C18	0.014 (6)	0.048 (7)	0.034 (6)	0.000 (5)	−0.001 (5)	0.002 (5)
C19	0.029 (7)	0.044 (7)	0.025 (5)	−0.005 (6)	−0.009 (5)	−0.001 (5)
C20	0.029 (7)	0.041 (7)	0.015 (5)	0.000 (5)	−0.004 (5)	−0.006 (4)
C21	0.021 (7)	0.040 (7)	0.019 (5)	0.003 (5)	0.001 (4)	0.005 (4)
C22	0.019 (6)	0.029 (6)	0.015 (5)	0.003 (4)	−0.006 (4)	−0.002 (4)
C23	0.019 (8)	0.067 (10)	0.046 (8)	−0.004 (7)	−0.008 (6)	0.032 (7)
C24	0.032 (8)	0.048 (8)	0.042 (7)	−0.009 (6)	0.000 (6)	0.024 (6)
C25	0.026 (7)	0.040 (7)	0.029 (6)	−0.008 (5)	0.005 (5)	0.003 (5)
C26	0.019 (7)	0.032 (6)	0.031 (6)	−0.004 (5)	−0.006 (5)	−0.001 (5)
C27	0.015 (6)	0.025 (5)	0.032 (6)	−0.004 (4)	0.000 (5)	0.007 (4)

Geometric parameters (Å, º) top

Au1—Br1	2.4128 (13)	C10—C15	1.417 (16)
Au1—P1	2.246 (3)	C11—C12	1.400 (16)
Au1—Au2ⁱ	3.2574 (8)	C11—H11	0.9500
Au2—Br2	2.4170 (12)	C12—C13	1.389 (19)
Au2—P2	2.258 (3)	C12—H12	0.9500
Au2—Au1ⁱⁱ	3.2574 (8)	C13—C14	1.391 (19)
P1—C4	1.811 (10)	C13—H13	0.9500
P1—C1	1.815 (11)	C14—C15	1.377 (17)
P1—C10	1.822 (11)	C14—H14	0.9500
P2—C22	1.799 (12)	C15—H15	0.9500
P2—C16	1.826 (10)	C16—C21	1.388 (15)
P2—C3	1.829 (10)	C16—C17	1.419 (16)
C1—C2	1.540 (13)	C17—C18	1.395 (17)
C1—H1A	0.9900	C17—H17	0.9500
C1—H1B	0.9900	C18—C19	1.389 (17)
C2—C3	1.535 (14)	C18—H18	0.9500
C2—H2A	0.9900	C19—C20	1.397 (19)
C2—H2B	0.9900	C19—H19	0.9500
C3—H3A	0.9900	C20—C21	1.410 (16)
C3—H3B	0.9900	C20—H20	0.9500
C4—C5	1.413 (14)	C21—H21	0.9500
C4—C9	1.420 (15)	C22—C23	1.406 (16)
C5—C6	1.395 (15)	C22—C27	1.414 (16)
C5—H5	0.9500	C23—C24	1.379 (19)
C6—C7	1.375 (18)	C23—H23	0.9500
C6—H6	0.9500	C24—C25	1.36 (2)
C7—C8	1.426 (17)	C24—H24	0.9500
C7—H7	0.9500	C25—C26	1.378 (17)
C8—C9	1.387 (15)	C25—H25	0.9500
C8—H8	0.9500	C26—C27	1.380 (16)
C9—H9	0.9500	C26—H26	0.9500
C10—C11	1.417 (16)	C27—H27	0.9500

P1—Au1—Br1	171.73 (7)	C11—C10—C15	119.1 (10)
P1—Au1—Au2ⁱ	102.08 (7)	C11—C10—P1	120.7 (8)
Br1—Au1—Au2ⁱ	85.71 (3)	C15—C10—P1	120.0 (9)
P2—Au2—Br2	174.31 (8)	C12—C11—C10	119.0 (11)
P2—Au2—Au1ⁱⁱ	100.40 (7)	C12—C11—H11	120.5
Br2—Au2—Au1ⁱⁱ	84.87 (4)	C10—C11—H11	120.5
C4—P1—C1	106.3 (5)	C13—C12—C11	121.4 (12)
C4—P1—C10	104.5 (5)	C13—C12—H12	119.3
C1—P1—C10	103.1 (5)	C11—C12—H12	119.3
C4—P1—Au1	111.2 (4)	C14—C13—C12	119.1 (11)
C1—P1—Au1	116.3 (3)	C14—C13—H13	120.4
C10—P1—Au1	114.3 (4)	C12—C13—H13	120.4
C22—P2—C16	105.9 (5)	C15—C14—C13	121.4 (11)
C22—P2—C3	105.7 (5)	C15—C14—H14	119.3
C16—P2—C3	103.0 (5)	C13—C14—H14	119.3
C22—P2—Au2	114.6 (4)	C14—C15—C10	120.0 (11)
C16—P2—Au2	112.5 (4)	C14—C15—H15	120.0
C3—P2—Au2	114.1 (3)	C10—C15—H15	120.0
C2—C1—P1	114.1 (7)	C21—C16—C17	120.6 (10)
C2—C1—H1A	108.7	C21—C16—P2	119.5 (8)
P1—C1—H1A	108.7	C17—C16—P2	119.7 (8)
C2—C1—H1B	108.7	C18—C17—C16	118.7 (11)
P1—C1—H1B	108.7	C18—C17—H17	120.7
H1A—C1—H1B	107.6	C16—C17—H17	120.7
C3—C2—C1	111.3 (8)	C19—C18—C17	121.1 (12)
C3—C2—H2A	109.4	C19—C18—H18	119.5
C1—C2—H2A	109.4	C17—C18—H18	119.5
C3—C2—H2B	109.4	C18—C19—C20	120.0 (11)
C1—C2—H2B	109.4	C18—C19—H19	120.0
H2A—C2—H2B	108.0	C20—C19—H19	120.0
C2—C3—P2	112.7 (7)	C19—C20—C21	120.0 (10)
C2—C3—H3A	109.1	C19—C20—H20	120.0
P2—C3—H3A	109.1	C21—C20—H20	120.0
C2—C3—H3B	109.1	C16—C21—C20	119.6 (11)
P2—C3—H3B	109.1	C16—C21—H21	120.2
H3A—C3—H3B	107.8	C20—C21—H21	120.2
C5—C4—C9	118.7 (9)	C23—C22—C27	116.7 (11)
C5—C4—P1	119.3 (9)	C23—C22—P2	121.7 (10)
C9—C4—P1	121.7 (7)	C27—C22—P2	121.6 (8)
C6—C5—C4	120.2 (11)	C24—C23—C22	121.6 (13)
C6—C5—H5	119.9	C24—C23—H23	119.2
C4—C5—H5	119.9	C22—C23—H23	119.2
C7—C6—C5	120.9 (11)	C25—C24—C23	120.4 (12)
C7—C6—H6	119.5	C25—C24—H24	119.8
C5—C6—H6	119.5	C23—C24—H24	119.8
C6—C7—C8	119.9 (10)	C24—C25—C26	119.8 (12)
C6—C7—H7	120.0	C24—C25—H25	120.1
C8—C7—H7	120.0	C26—C25—H25	120.1
C9—C8—C7	119.6 (11)	C25—C26—C27	121.1 (12)
C9—C8—H8	120.2	C25—C26—H26	119.5
C7—C8—H8	120.2	C27—C26—H26	119.5
C8—C9—C4	120.5 (10)	C26—C27—C22	120.3 (10)
C8—C9—H9	119.7	C26—C27—H27	119.8
C4—C9—H9	119.7	C22—C27—H27	119.8

Br1—Au1—P1—C4	33.0 (7)	C1—P1—C10—C15	95.1 (9)
Au2ⁱ—Au1—P1—C4	−127.3 (4)	Au1—P1—C10—C15	−32.1 (10)
Br1—Au1—P1—C1	154.9 (6)	C15—C10—C11—C12	1.7 (16)
Au2ⁱ—Au1—P1—C1	−5.3 (4)	P1—C10—C11—C12	175.5 (9)
Br1—Au1—P1—C10	−85.0 (6)	C10—C11—C12—C13	−0.8 (17)
Au2ⁱ—Au1—P1—C10	114.7 (4)	C11—C12—C13—C14	−0.9 (18)
Br2—Au2—P2—C22	155.8 (7)	C12—C13—C14—C15	1.8 (18)
Au1ⁱⁱ—Au2—P2—C22	−46.6 (4)	C13—C14—C15—C10	−0.9 (18)
Br2—Au2—P2—C16	34.8 (9)	C11—C10—C15—C14	−0.8 (16)
Au1ⁱⁱ—Au2—P2—C16	−167.6 (4)	P1—C10—C15—C14	−174.7 (9)
Br2—Au2—P2—C3	−82.1 (9)	C22—P2—C16—C21	53.7 (10)
Au1ⁱⁱ—Au2—P2—C3	75.5 (4)	C3—P2—C16—C21	−57.1 (10)
C4—P1—C1—C2	−171.0 (7)	Au2—P2—C16—C21	179.6 (8)
C10—P1—C1—C2	−61.4 (9)	C22—P2—C16—C17	−130.5 (9)
Au1—P1—C1—C2	64.5 (8)	C3—P2—C16—C17	118.8 (9)
P1—C1—C2—C3	170.0 (7)	Au2—P2—C16—C17	−4.6 (10)
C1—C2—C3—P2	−81.0 (10)	C21—C16—C17—C18	−1.1 (17)
C22—P2—C3—C2	−176.9 (7)	P2—C16—C17—C18	−176.8 (9)
C16—P2—C3—C2	−65.9 (8)	C16—C17—C18—C19	1.8 (18)
Au2—P2—C3—C2	56.3 (8)	C17—C18—C19—C20	−1.7 (19)
C1—P1—C4—C5	−163.6 (9)	C18—C19—C20—C21	0.8 (19)
C10—P1—C4—C5	87.7 (9)	C17—C16—C21—C20	0.2 (17)
Au1—P1—C4—C5	−36.1 (10)	P2—C16—C21—C20	176.0 (9)
C1—P1—C4—C9	22.4 (11)	C19—C20—C21—C16	−0.1 (18)
C10—P1—C4—C9	−86.2 (10)	C16—P2—C22—C23	31.6 (12)
Au1—P1—C4—C9	150.0 (8)	C3—P2—C22—C23	140.5 (11)
C9—C4—C5—C6	1.1 (16)	Au2—P2—C22—C23	−93.0 (11)
P1—C4—C5—C6	−172.9 (9)	C16—P2—C22—C27	−149.1 (9)
C4—C5—C6—C7	0.6 (18)	C3—P2—C22—C27	−40.2 (10)
C5—C6—C7—C8	−2.5 (18)	Au2—P2—C22—C27	86.3 (9)
C6—C7—C8—C9	2.7 (18)	C27—C22—C23—C24	1 (2)
C7—C8—C9—C4	−0.9 (17)	P2—C22—C23—C24	−179.9 (12)
C5—C4—C9—C8	−1.0 (17)	C22—C23—C24—C25	−2 (2)
P1—C4—C9—C8	173.0 (9)	C23—C24—C25—C26	0 (2)
C4—P1—C10—C11	32.3 (10)	C24—C25—C26—C27	1.9 (19)
C1—P1—C10—C11	−78.7 (9)	C25—C26—C27—C22	−2.7 (18)
Au1—P1—C10—C11	154.1 (7)	C23—C22—C27—C26	1.3 (17)
C4—P1—C10—C15	−153.9 (9)	P2—C22—C27—C26	−178.1 (9)

Symmetry codes: (i) −x+1/2, y−1/2, z; (ii) −x+1/2, y+1/2, z.

Experimental details

Crystal data
Chemical formula	[Au₂Br₂(C₂₇H₂₆P₂)]
M_r	966.17
Crystal system, space group	Orthorhombic, Pbcn
Temperature (K)	98
a, b, c (Å)	19.610 (5), 14.322 (4), 19.958 (5)
V (Å³)	5605 (2)
Z	8
Radiation type	Mo Kα
µ (mm⁻¹)	13.44
Crystal size (mm)	0.35 × 0.09 × 0.04

Data collection
Diffractometer	Rigaku AFC12K/SATURN724
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.355, 1
No. of measured, independent and observed [I > 2σ(I)] reflections	33240, 5794, 5470
R_int	0.073
(sin θ/λ)_max (Å⁻¹)	0.628

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.058, 0.139, 1.23
No. of reflections	5794
No. of parameters	298
H-atom treatment	H-atom parameters constrained
	w = 1/[σ²(F_o²) + (0.0548P)² + 72.0449P] where P = (F_o² + 2F_c²)/3
Δρ_max, Δρ_min (e Å⁻³)	2.34, −2.69

Computer programs: CrystalClear (Rigaku/MSC, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006), publCIF (Westrip, 2010).

Selected geometric parameters (Å, º) top

Au1—Br1	2.4128 (13)	Au2—Br2	2.4170 (12)
Au1—P1	2.246 (3)	Au2—P2	2.258 (3)

P1—Au1—Br1	171.73 (7)	P2—Au2—Br2	174.31 (8)

Footnotes

‡Additional correspondence author, e-mail: fmohr@uni-wuppertal.de.

References

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