catena-Poly[[(3-methyl-pyridine)-copper(I)]-μ-cyanido-copper(I)-μ-cyanido].

In the title complex, [Cu(2)(CN)(2)(C(6)H(7)N)](n), there are two copper atoms with different coordination environments. One Cu atom (Cu1) is linked to the two cyanide ligands, one N atom from a pyridine ring while the other (Cu2) is coordinated by the two cyanide ligands in a slightly distorted tetra-hedral geometry and linked to Cu1, forming a triangular coordination environment. The Cu atoms are bridged by bidentate cyanide ligands, forming an infinite Cu-CN chain. One cyanide ligand is equally disordered over two sets of sites, exchanging C and N atoms coordinated to both metal atoms. However, one cyanide group is not disordered and it coordinates to Cu1 via the N atom whereas its C-atom counterpart coordinates Cu2. The 3-methyl-pyridine (3MP) ligand coordinates through the N atom to Cu1 as a terminal ligand, which originates from decyanation of 3-pyridyl-acetonitrile under hydro-thermal conditions. Adjacent Cu-CN chains are inter-connected through Cu⋯Cu inter-actions [2.8364 (10) Å], forming a three-dimensional framework.

Related literature

For applications of coordination polymers, see: Gu & Xue (2007 ▶); Cheng et al. (2007 ▶); Ley et al. (2010 ▶); Etaiw et al. (2009 ▶); Li et al. (2009 ▶).

Experimental

Crystal data

[Cu2(CN)2(C6H7N)]

M = 272.27

Monoclinic,

a = 9.3027 (18) Å

b = 12.090 (2) Å

c = 8.8738 (17) Å

β = 105.927 (2)°

V = 959.7 (3) Å3

Z = 4

Mo Kα radiation

μ = 4.38 mm−1

T = 296 K

0.15 × 0.12 × 0.10 mm

Data collection

Bruker SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2004 ▶) T min = 0.559, T max = 0.668

4802 measured reflections

1725 independent reflections

1396 reflections with I > 2σ(I)

R int = 0.035

Refinement

R[F 2 > 2σ(F 2)] = 0.042

wR(F 2) = 0.118

S = 1.03

1725 reflections

107 parameters

2 restraints

H-atom parameters constrained

Δρmax = 0.76 e Å−3

Δρmin = −0.77 e Å−3

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT (Bruker, 2004 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811028509/kp2324sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811028509/kp2324Isup2.hkl

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

[Cu2(CN)2(C6H7N)]	F(000) = 536
Mr = 272.27	Dx = 1.884 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 1725 reflections
a = 9.3027 (18) Å	θ = 2.3–25.2°
b = 12.090 (2) Å	µ = 4.38 mm−1
c = 8.8738 (17) Å	T = 296 K
β = 105.927 (2)°	Block, yellow
V = 959.7 (3) Å3	0.15 × 0.12 × 0.10 mm
Z = 4

Bruker SMART APEX CCD diffractometer	1725 independent reflections
Radiation source: fine-focus sealed tube	1396 reflections with I > 2σ(I)
graphite	Rint = 0.035
ω scans	θmax = 25.2°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Bruker, 2004)	h = −10→11
Tmin = 0.559, Tmax = 0.668	k = −13→14
4802 measured reflections	l = −10→10

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) = 0.118	H-atom parameters constrained
S = 1.03	w = 1/[σ2(Fo2) + (0.0603P)2 + 1.271P] where P = (Fo2 + 2Fc2)/3
1725 reflections	(Δ/σ)max = 0.001
107 parameters	Δρmax = 0.76 e Å−3
2 restraints	Δρmin = −0.77 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 > 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.

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.3796 (8)	0.8237 (6)	−0.1465 (8)	0.085 (2)
H1A	0.4815	0.8216	−0.0832	0.127*
H1B	0.3695	0.8783	−0.2273	0.127*
H1C	0.3520	0.7525	−0.1933	0.127*
C2	0.2797 (3)	0.8529 (3)	−0.0463 (4)	0.0574 (13)
C3	0.1740 (4)	0.7751 (2)	−0.0325 (3)	0.0514 (12)
H3	0.1677	0.7076	−0.0843	0.062*
N1	0.0778 (3)	0.7981 (2)	0.0587 (3)	0.0464 (9)
C4	0.0872 (3)	0.8990 (2)	0.1361 (4)	0.0539 (12)
H4	0.0228	0.9144	0.1971	0.065*
C5	0.1929 (4)	0.9768 (2)	0.1222 (4)	0.0705 (16)
H5	0.1992	1.0442	0.1740	0.085*
C6	0.2891 (4)	0.9537 (3)	0.0310 (5)	0.0703 (16)
H6	0.3599	1.0057	0.0218	0.084*
C7	−0.2726 (5)	0.7996 (4)	0.2481 (5)	0.0447 (11)
C8	−0.0191 (5)	0.5420 (3)	0.0191 (5)	0.0479 (10)	0.50
C9	−0.4653 (6)	0.9731 (5)	0.4697 (6)	0.0674 (14)	0.50
Cu1	−0.07682 (7)	0.68136 (4)	0.07839 (7)	0.0473 (2)
Cu2	−0.35513 (8)	0.88478 (6)	0.37450 (8)	0.0680 (3)
N2	−0.2093 (5)	0.7508 (4)	0.1768 (5)	0.0576 (11)
N3	−0.0191 (5)	0.5420 (3)	0.0191 (5)	0.0479 (10)	0.50
N4	−0.4653 (6)	0.9731 (5)	0.4697 (6)	0.0674 (14)	0.50

	U11	U22	U33	U12	U13	U23
C1	0.069 (4)	0.102 (5)	0.097 (5)	−0.027 (4)	0.045 (4)	−0.012 (4)
C2	0.052 (3)	0.061 (3)	0.058 (3)	−0.013 (3)	0.012 (3)	−0.001 (3)
C3	0.057 (3)	0.051 (3)	0.050 (3)	−0.010 (2)	0.020 (2)	−0.008 (2)
N1	0.056 (2)	0.040 (2)	0.047 (2)	−0.0042 (18)	0.0218 (18)	−0.0066 (17)
C4	0.066 (3)	0.040 (3)	0.052 (3)	0.010 (2)	0.012 (2)	−0.004 (2)
C5	0.071 (4)	0.043 (3)	0.089 (4)	−0.005 (3)	0.008 (3)	−0.015 (3)
C6	0.066 (4)	0.046 (3)	0.093 (4)	−0.017 (3)	0.011 (3)	0.000 (3)
C7	0.052 (3)	0.038 (3)	0.050 (2)	0.0047 (19)	0.025 (2)	−0.0047 (19)
C8	0.059 (3)	0.038 (2)	0.057 (2)	0.0056 (19)	0.034 (2)	−0.0012 (19)
C9	0.073 (3)	0.069 (3)	0.066 (3)	0.026 (3)	0.029 (3)	−0.009 (3)
Cu1	0.0561 (4)	0.0377 (4)	0.0583 (4)	0.0040 (2)	0.0328 (3)	−0.0070 (2)
Cu2	0.0727 (5)	0.0675 (5)	0.0772 (5)	0.0212 (4)	0.0429 (4)	−0.0155 (4)
N2	0.067 (3)	0.050 (3)	0.068 (3)	0.007 (2)	0.038 (2)	−0.008 (2)
N3	0.059 (3)	0.038 (2)	0.057 (2)	0.0056 (19)	0.034 (2)	−0.0012 (19)
N4	0.073 (3)	0.069 (3)	0.066 (3)	0.026 (3)	0.029 (3)	−0.009 (3)

C1—C2	1.493 (6)	C5—H5	0.9300
C1—H1A	0.9600	C6—H6	0.9300
C1—H1B	0.9600	C7—N2	1.140 (5)
C1—H1C	0.9600	C7—Cu2	1.839 (4)
C2—C3	1.3900	C8—N3i	1.158 (8)
C2—C6	1.3900	C8—C8i	1.158 (8)
C3—N1	1.3900	C8—Cu1	1.886 (4)
C3—H3	0.9300	C9—N4ii	1.150 (9)
N1—C4	1.3900	C9—C9ii	1.150 (9)
N1—Cu1	2.057 (2)	C9—Cu2	1.838 (5)
C4—C5	1.3900	Cu1—N2	1.891 (4)
C4—H4	0.9300	Cu1—Cu2iii	2.8364 (10)
C5—C6	1.3900	Cu2—Cu1iv	2.8364 (10)
C2—C1—H1A	109.5	C5—C6—C2	120.0
C2—C1—H1B	109.5	C5—C6—H6	120.0
H1A—C1—H1B	109.5	C2—C6—H6	120.0
C2—C1—H1C	109.5	N2—C7—Cu2	173.8 (5)
H1A—C1—H1C	109.5	N3i—C8—C8i	0.0 (5)
H1B—C1—H1C	109.5	N3i—C8—Cu1	178.1 (5)
C3—C2—C6	120.0	C8i—C8—Cu1	178.1 (5)
C3—C2—C1	117.6 (3)	N4ii—C9—C9ii	0.0 (5)
C6—C2—C1	122.4 (3)	N4ii—C9—Cu2	178.9 (8)
C2—C3—N1	120.0	C9ii—C9—Cu2	178.9 (8)
C2—C3—H3	120.0	C8—Cu1—N2	142.80 (19)
N1—C3—H3	120.0	C8—Cu1—N1	109.28 (15)
C4—N1—C3	120.0	N2—Cu1—N1	107.10 (16)
C4—N1—Cu1	120.73 (15)	C8—Cu1—Cu2iii	81.38 (15)
C3—N1—Cu1	119.27 (15)	N2—Cu1—Cu2iii	79.83 (14)
N1—C4—C5	120.0	N1—Cu1—Cu2iii	132.57 (9)
N1—C4—H4	120.0	C9—Cu2—C7	169.9 (2)
C5—C4—H4	120.0	C9—Cu2—Cu1iv	113.40 (17)
C6—C5—C4	120.0	C7—Cu2—Cu1iv	76.72 (15)
C6—C5—H5	120.0	C7—N2—Cu1	170.8 (5)
C4—C5—H5	120.0

Table 1

Selected bond lengths (Å)

N1—Cu1	2.057 (2)
C7—Cu2	1.839 (4)
C8—Cu1	1.886 (4)
C9—Cu2	1.838 (5)
Cu1—N2	1.891 (4)