catena-Poly[[(triphenyl­phosphane-κP)copper(I)]-di-μ-bromido-[(triphenyl­phos­phane-κP)copper(I)]-μ-1,3-bis(pyridin-4-yl)­propane-κ2N:N′]

Huang, W.; Zhang, J.; Zhang, C.

doi:10.1107/S1600536812004084

metal-organic compounds

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ISSN: 2056-9890

Volume 68| Part 3| March 2012| Page m252

doi:10.1107/S1600536812004084

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catena-Poly[[(triphenylphosphane-κP)copper(I)]-di-μ-bromido-[(triphenylphosphane-κP)copper(I)]-μ-1,3-bis(pyridin-4-yl)propane-κ²N:N′]

Wenjiang Huang,^a Jinfang Zhang ^b and Chi Zhang ^a ^*

^aInstitute of Molecular Engineering and Advanced Materials, School of Chemical Engineering, Nanjing University of Science and Technology, 200 Xiaolingwei, Nanjing 210094, Jiangsu, People's Republic of China, and ^bInstitute of Science and Technology, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, People's Republic of China
^*Correspondence e-mail: chizhang@mail.njust.edu.cn

(Received 16 January 2012; accepted 31 January 2012; online 4 February 2012)

Through a diffusion reaction, cuprous bromide, triphenylphosphane and 1,3-bis(pyridin-4-yl)propane (bpp) were self-assembled to form the one-dimensional title compound, [Cu₂Br₂(C₁₃H₁₄N₂)(C₁₈H₁₅P)₂]_n. Each Cu^I atom is coordinated by two Br atoms, one P atom from a triphenylphosphane ligand and one N atom from a bpp molecule in a distorted tetrahedral geometry. Two μ₂-Br bridges connect two [Cu(PPh₃)]⁺ units to form neutral [CuBr(PPh₃)]₂ dimers, which are linked by the flexible bridging bpp ligands to form a one-dimensional chain structure parallel to the c axis. The dihedral angle between the pyridine rings of the bpp ligand is 34.59 (14)°.

Related literature

For background to architectures, topologies and applications of metal–organic compounds, see: Eddaoudi et al. (2001 ); Banerjee et al. (2008 ); Zhang et al. (2007 ). For the structures of metal-organic compounds constructed by flexible bridging ligands, see: Zhang (2009a ,b ).

Experimental

Crystal data

[Cu₂Br₂(C₁₃H₁₄N₂)(C₁₈H₁₅P)₂]
M_r = 1009.70
Monoclinic, C 2/c
a = 25.703 (5) Å
b = 9.3679 (19) Å
c = 20.005 (4) Å
β = 111.58 (3)°
V = 4479.2 (18) Å³
Z = 4
Mo Kα radiation
μ = 2.84 mm⁻¹
T = 293 K
0.2 × 0.18 × 0.12 mm

Data collection

Rigaku Saturn 724+ (2 × 2 bin mode) diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2008 ) T_min = 0.572, T_max = 0.711
10689 measured reflections
4450 independent reflections
3522 reflections with I > 2σ(I)
R_int = 0.031

Refinement

R[F² > 2σ(F²)] = 0.047
wR(F²) = 0.100
S = 1.08
4450 reflections
258 parameters
H-atom parameters constrained
Δρ_max = 0.50 e Å⁻³
Δρ_min = −0.40 e Å⁻³

Data collection: CrystalClear (Rigaku, 2008); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536812004084/rz2699sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536812004084/rz2699Isup2.hkl

checkCIF report

Comment top

The design and syntheses of metal-organic compounds have attracted great attention in recent years because of not only their intriguing architectures and topologies (Eddaoudi et al., 2001) but also their potential applications (Banerjee et al., 2008; Zhang et al., 2007). Flexible bridging ligands can construct metal-organic compounds with various structures (Zhang, 2009a; Zhang, 2009b). The title compound {[CuBrP(Ph)₃]₂(bpp)}_n was constructed by the flexible bridging ligand 1,3-bis(pyridin-4-yl)propane (bpp) through diffusion reaction.

As illustrated in Fig. 1, each copper(I) atom is coordinated by two Br atoms, one P atom from a P(Ph)₃ ligand and one N atom from a bpp molecule forming a distorted tetrahedral geometry. The dihedral angle formed by the pyridine rings of the bpp molecule is 34.59 (14)°. In the structure, two µ₂-Br bridges connect two [CuP(Ph)₃]⁺ units to form a neutral dimer [CuBrP(Ph)₃]₂; these dimers are then linked each other by the flexible bridging ligands bpp into one-dimensional chains parallel to the c axis.

Related literature top

For background to architectures, topologies and applications of metal–organic compounds, see: Eddaoudi et al. (2001); Banerjee et al. (2008); Zhang et al. (2007). For the structures of metal-organic compounds constructed by flexible bridging ligands, see: Zhang (2009a,b).

Experimental top

A mixture of CuBr (1 mmol), P(Ph)₃ (2 mmol) and N,N-dimethylformamide (dmf; 6 ml) was stirred for 5 minutes. After filtration, the colourless filtrate was carefully laid on the surface with dmf (1 ml) and a solution of bpp 0.5 (mmol) in i-PrOH (10 ml), in turn. Colourless block crystals were obtained after about five days.

Computing details top

Data collection: CrystalClear (Rigaku, 2008); cell refinement: CrystalClear (Rigaku, 2008); data reduction: CrystalClear (Rigaku, 2008); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

Fig. 1. The molecular structure of title compound, with 30% probability displacement ellipsoids. H atoms have been omitted. Symmetry codes: (i) -x, -y, -z; (ii) -x, y, -z+1/2.

catena-Poly[[(triphenylphosphane-κP)copper(I)]-di-µ-bromido- [(triphenylphosphane-κP)copper(I)]-µ-1,3-bis(pyridin-4-yl)propane- κ²N:N'] top

Crystal data top

[Cu₂Br₂(C₁₃H₁₄N₂)(C₁₈H₁₅P)₂]	F(000) = 2040
M_r = 1009.70	D_x = 1.497 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 9037 reflections
a = 25.703 (5) Å	θ = 2.7–29.1°
b = 9.3679 (19) Å	µ = 2.84 mm⁻¹
c = 20.005 (4) Å	T = 293 K
β = 111.58 (3)°	Block, colourless
V = 4479.2 (18) Å³	0.2 × 0.18 × 0.12 mm
Z = 4

Data collection top

Rigaku Saturn 724+ (2x2 bin mode) diffractometer	4450 independent reflections
Radiation source: fine-focus sealed tube	3522 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.031
dtprofit.ref scans	θ_max = 26.4°, θ_min = 2.7°
Absorption correction: multi-scan (CrystalClear; Rigaku, 2008)	h = −21→31
T_min = 0.572, T_max = 0.711	k = −11→10
10689 measured reflections	l = −24→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)] = 0.047	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.100	H-atom parameters constrained
S = 1.08	w = 1/[σ²(F_o²) + (0.040P)² + 1.5813P] where P = (F_o² + 2F_c²)/3
4450 reflections	(Δ/σ)_max < 0.001
258 parameters	Δρ_max = 0.50 e Å⁻³
0 restraints	Δρ_min = −0.40 e Å⁻³

Crystal data top

[Cu₂Br₂(C₁₃H₁₄N₂)(C₁₈H₁₅P)₂]	V = 4479.2 (18) Å³
M_r = 1009.70	Z = 4
Monoclinic, C2/c	Mo Kα radiation
a = 25.703 (5) Å	µ = 2.84 mm⁻¹
b = 9.3679 (19) Å	T = 293 K
c = 20.005 (4) Å	0.2 × 0.18 × 0.12 mm
β = 111.58 (3)°

Data collection top

Rigaku Saturn 724+ (2x2 bin mode) diffractometer	4450 independent reflections
Absorption correction: multi-scan (CrystalClear; Rigaku, 2008)	3522 reflections with I > 2σ(I)
T_min = 0.572, T_max = 0.711	R_int = 0.031
10689 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.047	0 restraints
wR(F²) = 0.100	H-atom parameters constrained
S = 1.08	Δρ_max = 0.50 e Å⁻³
4450 reflections	Δρ_min = −0.40 e Å⁻³
258 parameters

Special details top

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 (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Br1	0.037465 (15)	−0.13108 (4)	0.085054 (19)	0.05206 (14)
Cu1	0.045283 (18)	0.10762 (4)	0.03058 (2)	0.05009 (16)
P1	0.12847 (4)	0.14974 (9)	0.02434 (5)	0.0420 (2)
N1	0.02809 (12)	0.2487 (3)	0.09919 (15)	0.0480 (7)
C1	0.05533 (18)	0.2313 (4)	0.16946 (19)	0.0646 (11)
H1A	0.0706	0.1420	0.1857	0.078*
C2	0.00515 (15)	0.3770 (4)	0.0794 (2)	0.0516 (9)
H2A	−0.0154	0.3921	0.0308	0.062*
C3	0.06232 (18)	0.3374 (4)	0.2197 (2)	0.0646 (11)
H3A	0.0820	0.3186	0.2681	0.078*
C4	0.00981 (15)	0.4879 (4)	0.12585 (18)	0.0540 (9)
H4A	−0.0075	0.5746	0.1085	0.065*
C5	0.04018 (15)	0.4712 (4)	0.19846 (18)	0.0481 (8)
C6	0.05047 (16)	0.5895 (4)	0.2525 (2)	0.0595 (10)
H6A	0.0778	0.6541	0.2462	0.071*
H6B	0.0672	0.5482	0.3002	0.071*
C7	0.0000	0.6766 (5)	0.2500	0.0598 (14)
H7A	0.0109	0.7378	0.2920	0.072*	0.50
H7B	−0.0109	0.7378	0.2080	0.072*	0.50
C8	0.13901 (13)	0.3398 (3)	0.01233 (18)	0.0431 (8)
C9	0.15024 (16)	0.3953 (4)	−0.0452 (2)	0.0564 (10)
H9A	0.1547	0.3340	−0.0793	0.068*
C10	0.13194 (15)	0.4350 (4)	0.0618 (2)	0.0560 (9)
H10A	0.1242	0.4000	0.1007	0.067*
C11	0.15479 (18)	0.5417 (4)	−0.0523 (2)	0.0718 (12)
H11A	0.1630	0.5777	−0.0906	0.086*
C12	0.13618 (17)	0.5808 (4)	0.0539 (3)	0.0719 (12)
H12A	0.1315	0.6431	0.0875	0.086*
C13	0.14731 (18)	0.6335 (4)	−0.0035 (3)	0.0767 (14)
H13A	0.1498	0.7316	−0.0091	0.092*
C14	0.19053 (15)	0.1027 (4)	0.10280 (18)	0.0468 (8)
C15	0.23762 (16)	0.1870 (4)	0.1286 (2)	0.0644 (10)
H15A	0.2380	0.2747	0.1070	0.077*
C16	0.19065 (18)	−0.0256 (5)	0.1358 (2)	0.0791 (13)
H16A	0.1590	−0.0833	0.1196	0.095*
C17	0.28428 (18)	0.1441 (5)	0.1858 (2)	0.0786 (13)
H17A	0.3158	0.2021	0.2023	0.094*
C18	0.2374 (2)	−0.0702 (6)	0.1931 (3)	0.1048 (18)
H18A	0.2373	−0.1582	0.2145	0.126*
C19	0.2840 (2)	0.0159 (7)	0.2183 (2)	0.0931 (16)
H19A	0.3152	−0.0131	0.2572	0.112*
C20	0.14205 (14)	0.0655 (3)	−0.04961 (17)	0.0440 (8)
C21	0.19394 (16)	0.0172 (4)	−0.0453 (2)	0.0603 (10)
H21A	0.2242	0.0236	−0.0020	0.072*
C22	0.09837 (18)	0.0530 (5)	−0.1144 (2)	0.0756 (13)
H22A	0.0627	0.0809	−0.1180	0.091*
C23	0.20140 (18)	−0.0412 (5)	−0.1054 (2)	0.0744 (12)
H23A	0.2364	−0.0753	−0.1016	0.089*
C24	0.1062 (2)	0.0002 (6)	−0.1743 (2)	0.1008 (18)
H24A	0.0764	−0.0025	−0.2182	0.121*
C25	0.1577 (2)	−0.0482 (5)	−0.1693 (2)	0.0817 (14)
H25A	0.1628	−0.0858	−0.2095	0.098*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Br1	0.0493 (2)	0.0439 (2)	0.0592 (3)	−0.00242 (15)	0.01535 (18)	0.00777 (16)
Cu1	0.0479 (3)	0.0470 (3)	0.0577 (3)	−0.00363 (19)	0.0221 (2)	−0.0010 (2)
P1	0.0399 (5)	0.0390 (5)	0.0458 (5)	−0.0023 (4)	0.0142 (4)	−0.0011 (4)
N1	0.0500 (18)	0.0442 (17)	0.0510 (17)	0.0021 (13)	0.0199 (14)	0.0027 (14)
C1	0.093 (3)	0.046 (2)	0.052 (2)	0.019 (2)	0.023 (2)	0.011 (2)
C2	0.051 (2)	0.053 (2)	0.047 (2)	0.0040 (17)	0.0133 (17)	0.0068 (18)
C3	0.083 (3)	0.060 (2)	0.045 (2)	0.016 (2)	0.017 (2)	0.004 (2)
C4	0.059 (2)	0.041 (2)	0.059 (2)	0.0082 (17)	0.0188 (18)	0.0035 (19)
C5	0.046 (2)	0.049 (2)	0.052 (2)	−0.0021 (16)	0.0211 (16)	−0.0025 (18)
C6	0.060 (3)	0.055 (2)	0.064 (2)	−0.0078 (19)	0.023 (2)	−0.0077 (19)
C7	0.081 (4)	0.044 (3)	0.056 (3)	0.000	0.026 (3)	0.000
C8	0.0358 (19)	0.0414 (18)	0.0485 (19)	−0.0005 (14)	0.0115 (15)	0.0021 (16)
C9	0.056 (2)	0.051 (2)	0.058 (2)	−0.0036 (17)	0.0167 (19)	0.0050 (18)
C10	0.056 (2)	0.048 (2)	0.068 (2)	−0.0072 (17)	0.0279 (19)	−0.0071 (19)
C11	0.073 (3)	0.056 (3)	0.077 (3)	−0.007 (2)	0.016 (2)	0.020 (2)
C12	0.061 (3)	0.045 (2)	0.108 (4)	−0.0040 (19)	0.029 (3)	−0.018 (2)
C13	0.068 (3)	0.037 (2)	0.113 (4)	−0.0019 (19)	0.018 (3)	0.011 (3)
C14	0.045 (2)	0.048 (2)	0.050 (2)	0.0023 (16)	0.0201 (17)	0.0030 (17)
C15	0.056 (3)	0.061 (2)	0.065 (2)	−0.003 (2)	0.010 (2)	−0.003 (2)
C16	0.060 (3)	0.077 (3)	0.092 (3)	0.003 (2)	0.018 (2)	0.030 (3)
C17	0.051 (3)	0.104 (4)	0.064 (3)	0.003 (2)	0.002 (2)	−0.011 (3)
C18	0.082 (4)	0.119 (4)	0.104 (4)	0.017 (3)	0.023 (3)	0.066 (4)
C19	0.066 (3)	0.139 (5)	0.063 (3)	0.029 (3)	0.010 (2)	0.024 (3)
C20	0.045 (2)	0.0386 (18)	0.0489 (19)	−0.0027 (15)	0.0177 (16)	−0.0034 (16)
C21	0.049 (2)	0.068 (3)	0.066 (2)	−0.0080 (19)	0.0240 (19)	−0.014 (2)
C22	0.056 (3)	0.096 (3)	0.065 (2)	0.016 (2)	0.010 (2)	−0.032 (2)
C23	0.056 (3)	0.085 (3)	0.092 (3)	−0.006 (2)	0.040 (3)	−0.022 (3)
C24	0.073 (4)	0.142 (5)	0.073 (3)	0.012 (3)	0.011 (3)	−0.052 (3)
C25	0.076 (3)	0.101 (4)	0.073 (3)	−0.008 (3)	0.033 (3)	−0.038 (3)

Geometric parameters (Å, º) top

Br1—Cu1ⁱ	2.5108 (12)	C10—C12	1.384 (5)
Br1—Cu1	2.5276 (7)	C10—H10A	0.9300
Cu1—N1	2.067 (3)	C11—C13	1.368 (6)
Cu1—P1	2.2226 (11)	C11—H11A	0.9300
Cu1—Br1ⁱ	2.5108 (12)	C12—C13	1.373 (6)
Cu1—Cu1ⁱ	2.9810 (10)	C12—H12A	0.9300
P1—C20	1.820 (3)	C13—H13A	0.9300
P1—C8	1.830 (3)	C14—C16	1.371 (5)
P1—C14	1.833 (4)	C14—C15	1.377 (5)
N1—C1	1.330 (4)	C15—C17	1.378 (5)
N1—C2	1.333 (4)	C15—H15A	0.9300
C1—C3	1.378 (5)	C16—C18	1.385 (6)
C1—H1A	0.9300	C16—H16A	0.9300
C2—C4	1.370 (5)	C17—C19	1.365 (7)
C2—H2A	0.9300	C17—H17A	0.9300
C3—C5	1.377 (5)	C18—C19	1.377 (7)
C3—H3A	0.9300	C18—H18A	0.9300
C4—C5	1.382 (5)	C19—H19A	0.9300
C4—H4A	0.9300	C20—C22	1.373 (5)
C5—C6	1.502 (5)	C20—C21	1.381 (5)
C6—C7	1.518 (5)	C21—C23	1.396 (5)
C6—H6A	0.9700	C21—H21A	0.9300
C6—H6B	0.9700	C22—C24	1.378 (5)
C7—C6ⁱⁱ	1.518 (5)	C22—H22A	0.9300
C7—H7A	0.9700	C23—C25	1.358 (6)
C7—H7B	0.9700	C23—H23A	0.9300
C8—C9	1.387 (5)	C24—C25	1.369 (6)
C8—C10	1.393 (5)	C24—H24A	0.9300
C9—C11	1.389 (5)	C25—H25A	0.9300
C9—H9A	0.9300

Cu1ⁱ—Br1—Cu1	72.547 (19)	C8—C9—H9A	119.8
N1—Cu1—P1	111.65 (8)	C11—C9—H9A	119.8
N1—Cu1—Br1ⁱ	103.91 (8)	C12—C10—C8	121.1 (4)
P1—Cu1—Br1ⁱ	116.05 (4)	C12—C10—H10A	119.5
N1—Cu1—Br1	102.07 (8)	C8—C10—H10A	119.5
P1—Cu1—Br1	114.33 (3)	C13—C11—C9	120.6 (4)
Br1ⁱ—Cu1—Br1	107.453 (19)	C13—C11—H11A	119.7
N1—Cu1—Cu1ⁱ	112.31 (8)	C9—C11—H11A	119.7
P1—Cu1—Cu1ⁱ	135.99 (4)	C13—C12—C10	119.9 (4)
Br1ⁱ—Cu1—Cu1ⁱ	53.99 (2)	C13—C12—H12A	120.0
Br1—Cu1—Cu1ⁱ	53.47 (2)	C10—C12—H12A	120.0
C20—P1—C8	103.50 (16)	C11—C13—C12	119.9 (4)
C20—P1—C14	103.00 (16)	C11—C13—H13A	120.0
C8—P1—C14	102.83 (15)	C12—C13—H13A	120.0
C20—P1—Cu1	116.40 (12)	C16—C14—C15	118.4 (3)
C8—P1—Cu1	111.84 (11)	C16—C14—P1	118.1 (3)
C14—P1—Cu1	117.48 (12)	C15—C14—P1	123.5 (3)
C1—N1—C2	115.3 (3)	C14—C15—C17	121.4 (4)
C1—N1—Cu1	117.7 (2)	C14—C15—H15A	119.3
C2—N1—Cu1	123.9 (2)	C17—C15—H15A	119.3
N1—C1—C3	124.0 (3)	C14—C16—C18	120.7 (4)
N1—C1—H1A	118.0	C14—C16—H16A	119.7
C3—C1—H1A	118.0	C18—C16—H16A	119.7
N1—C2—C4	124.3 (3)	C19—C17—C15	119.7 (4)
N1—C2—H2A	117.8	C19—C17—H17A	120.1
C4—C2—H2A	117.8	C15—C17—H17A	120.1
C5—C3—C1	120.2 (3)	C19—C18—C16	120.0 (5)
C5—C3—H3A	119.9	C19—C18—H18A	120.0
C1—C3—H3A	119.9	C16—C18—H18A	120.0
C2—C4—C5	120.1 (3)	C17—C19—C18	119.8 (4)
C2—C4—H4A	119.9	C17—C19—H19A	120.1
C5—C4—H4A	119.9	C18—C19—H19A	120.1
C3—C5—C4	115.9 (3)	C22—C20—C21	117.8 (3)
C3—C5—C6	120.4 (3)	C22—C20—P1	118.0 (3)
C4—C5—C6	123.7 (3)	C21—C20—P1	124.1 (3)
C5—C6—C7	116.8 (3)	C20—C21—C23	120.7 (4)
C5—C6—H6A	108.1	C20—C21—H21A	119.7
C7—C6—H6A	108.1	C23—C21—H21A	119.7
C5—C6—H6B	108.1	C20—C22—C24	121.4 (4)
C7—C6—H6B	108.1	C20—C22—H22A	119.3
H6A—C6—H6B	107.3	C24—C22—H22A	119.3
C6ⁱⁱ—C7—C6	114.9 (4)	C25—C23—C21	120.2 (4)
C6ⁱⁱ—C7—H7A	108.5	C25—C23—H23A	119.9
C6—C7—H7A	108.5	C21—C23—H23A	119.9
C6ⁱⁱ—C7—H7B	108.5	C25—C24—C22	120.2 (4)
C6—C7—H7B	108.5	C25—C24—H24A	119.9
H7A—C7—H7B	107.5	C22—C24—H24A	119.9
C9—C8—C10	118.1 (3)	C23—C25—C24	119.6 (4)
C9—C8—P1	124.0 (3)	C23—C25—H25A	120.2
C10—C8—P1	117.8 (3)	C24—C25—H25A	120.2
C8—C9—C11	120.4 (4)

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

Experimental details

Crystal data
Chemical formula	[Cu₂Br₂(C₁₃H₁₄N₂)(C₁₈H₁₅P)₂]
M_r	1009.70
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	293
a, b, c (Å)	25.703 (5), 9.3679 (19), 20.005 (4)
β (°)	111.58 (3)
V (Å³)	4479.2 (18)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	2.84
Crystal size (mm)	0.2 × 0.18 × 0.12

Data collection
Diffractometer	Rigaku Saturn 724+ (2x2 bin mode) diffractometer
Absorption correction	Multi-scan (CrystalClear; Rigaku, 2008)
T_min, T_max	0.572, 0.711
No. of measured, independent and observed [I > 2σ(I)] reflections	10689, 4450, 3522
R_int	0.031
(sin θ/λ)_max (Å⁻¹)	0.625

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.047, 0.100, 1.08
No. of reflections	4450
No. of parameters	258
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.50, −0.40

Computer programs: CrystalClear (Rigaku, 2008), SHELXTL (Sheldrick, 2008).

Acknowledgements

This work was supported by the National Natural Science Foundation of China (grant No. 50472048) and the Program for New Century Excellent Talents in Universities (grant No. NCET-05–0499).

References

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