Poly[[μ(2)-1,4-bis-(imidazol-1-ylmeth-yl)benzene]bis-(μ(4)-cyclo-hexane-1,4-dicarboxyl-ato)dicobalt(II)].

In the title compound, [Co(2)(C(8)H(10)O(4))(2)(C(14)H(14)N(4))](n), the two Co(II) atoms are both five-coordinated by four carboxyl-ate O atoms, derived from two different cyclo-hexane-1,4-dicarboxyl-ate (chdc) ligands, and an N atom, derived from one end of a 1,4-bis-(imidazol-1-ylmeth-yl)benzene mol-ecule (1,4-bix), in a distorted square-pyramidal environment. Each end of the chdc ligand links pairs of Co(II) atoms into a paddle-wheel assembly, i.e. Co(2)(O(2)CR')(4); these are connected into rows because of the bridging nature of the chdc ligands, and the rows are further connected into a two-dimensional layer through the 1,4-bix ligands. The 1,4-bix ligand, which is disposed about a centre of inversion, is disorderd. Two positions were discerned for the -CH(2)(C(6)H(4))CH(2)- residue, with the major component having a site-occupancy factor of 0.512 (9).

Related literature

For background to coordination polymers, see: Yang et al. (2008 ▶). For the isotypic Ni(II) structure, see: Li et al. (2009 ▶).

Experimental

Crystal data

[Co2(C8H10O4)2(C14H14N4)]

M = 696.48

Triclinic,

a = 8.5415 (6) Å

b = 8.8051 (5) Å

c = 10.8007 (5) Å

α = 93.824 (4)°

β = 100.940 (4)°

γ = 105.413 (5)°

V = 762.95 (8) Å3

Z = 1

Mo Kα radiation

μ = 1.14 mm−1

T = 293 K

0.24 × 0.22 × 0.21 mm

Data collection

Bruker APEX diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.756, T max = 0.788

6296 measured reflections

2663 independent reflections

2212 reflections with I > 2σ(I)

R int = 0.030

Refinement

R[F 2 > 2σ(F 2)] = 0.052

wR(F 2) = 0.150

S = 1.06

2663 reflections

206 parameters

30 restraints

H-atom parameters constrained

Δρmax = 1.34 e Å−3

Δρmin = −1.40 e Å−3

Data collection: SMART (Bruker, 1998 ▶); cell refinement: SAINT (Bruker, 1998 ▶); 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 datablocks global, I. DOI: 10.1107/S160053680903428X/bt5034sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053680903428X/bt5034Isup2.hkl

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

[Co2(C8H10O4)2(C14H14N4)]	Z = 1
Mr = 696.48	F(000) = 360
Triclinic, P1	Dx = 1.516 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.5415 (6) Å	Cell parameters from 2663 reflections
b = 8.8051 (5) Å	θ = 3.0–25.0°
c = 10.8007 (5) Å	µ = 1.14 mm−1
α = 93.824 (4)°	T = 293 K
β = 100.940 (4)°	Block, purple
γ = 105.413 (5)°	0.24 × 0.22 × 0.21 mm
V = 762.95 (8) Å3

Bruker APEX diffractometer	2663 independent reflections
Radiation source: fine-focus sealed tube	2212 reflections with I > 2σ(I)
graphite	Rint = 0.030
φ and ω scans	θmax = 25.0°, θmin = 4.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −9→10
Tmin = 0.756, Tmax = 0.788	k = −10→10
6296 measured reflections	l = −12→12

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)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.150	H-atom parameters constrained
S = 1.06	w = 1/[σ2(Fo2) + (0.0864P)2 + 1.1188P] where P = (Fo2 + 2Fc2)/3
2663 reflections	(Δ/σ)max = 0.001
206 parameters	Δρmax = 1.34 e Å−3
30 restraints	Δρmin = −1.40 e Å−3

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.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Co	1.02761 (7)	0.46504 (6)	0.62430 (5)	0.0287 (2)
O1	0.9612 (4)	0.6678 (4)	0.6589 (3)	0.0424 (8)
O2	0.9184 (4)	0.7201 (4)	0.4586 (3)	0.0416 (8)
O3	0.2725 (4)	0.5894 (4)	0.6746 (3)	0.0469 (8)
O4	0.2232 (4)	0.6331 (4)	0.4730 (3)	0.0471 (8)
N1	0.9757 (6)	0.3705 (5)	0.7847 (4)	0.0516 (8)
C1	0.9135 (5)	0.7472 (5)	0.5736 (4)	0.0320 (9)
C2	0.8510 (5)	0.8860 (5)	0.6110 (4)	0.0336 (10)
H2	0.9467	0.9810	0.6299	0.040*
C3	0.7803 (6)	0.8675 (6)	0.7305 (4)	0.0432 (11)
H3A	0.8603	0.8430	0.7969	0.052*
H3B	0.7635	0.9674	0.7597	0.052*
C4	0.6161 (5)	0.7374 (6)	0.7083 (4)	0.0370 (10)
H4A	0.6336	0.6357	0.6852	0.044*
H4B	0.5746	0.7320	0.7859	0.044*
C5	0.4889 (5)	0.7709 (5)	0.6026 (4)	0.0268 (8)
H5	0.4777	0.8752	0.6296	0.032*
C6	0.5562 (5)	0.7871 (5)	0.4806 (4)	0.0337 (10)
H6A	0.5710	0.6866	0.4507	0.040*
H6B	0.4761	0.8131	0.4152	0.040*
C7	0.7222 (6)	0.9163 (5)	0.5037 (5)	0.0382 (10)
H7A	0.7643	0.9202	0.4263	0.046*
H7B	0.7049	1.0185	0.5252	0.046*
C8	0.3170 (5)	0.6554 (5)	0.5811 (4)	0.0337 (10)
C9	1.0536 (7)	0.2819 (7)	0.8583 (6)	0.0653 (17)
H9	1.1446	0.2484	0.8461	0.078*
C10	0.9687 (11)	0.2518 (9)	0.9557 (6)	0.104 (3)
H10	0.9935	0.1930	1.0213	0.125*
C11	0.8543 (7)	0.3871 (6)	0.8375 (5)	0.0512 (13)
H11	0.7795	0.4418	0.8048	0.061*
N2	0.8493 (6)	0.3188 (5)	0.9406 (4)	0.0516 (8)
C12	0.7737 (19)	0.2877 (17)	1.0436 (13)	0.055 (3)	0.488 (9)
H12A	0.7196	0.3690	1.0584	0.066*	0.488 (9)
H12B	0.8591	0.2945	1.1188	0.066*	0.488 (9)
C13	0.6462 (19)	0.1259 (17)	1.0251 (14)	0.047 (3)	0.488 (9)
C14	0.653 (3)	0.034 (3)	1.120 (2)	0.064 (5)	0.488 (9)
H14	0.7379	0.0393	1.1893	0.077*	0.488 (9)
C15	0.516 (3)	0.076 (3)	0.9209 (18)	0.062 (4)	0.488 (9)
H15	0.5434	0.1302	0.8536	0.074*	0.488 (9)
C12'	0.6974 (18)	0.3329 (16)	1.0078 (12)	0.055 (3)	0.512 (9)
H12C	0.7410	0.3783	1.0960	0.066*	0.512 (9)
H12D	0.6391	0.4017	0.9648	0.066*	0.512 (9)
C13'	0.5796 (18)	0.1695 (16)	1.0001 (13)	0.047 (3)	0.512 (9)
C14'	0.598 (3)	0.076 (3)	1.093 (2)	0.064 (5)	0.512 (9)
H14'	0.6596	0.1367	1.1695	0.077*	0.512 (9)
C15'	0.456 (2)	0.110 (3)	0.8901 (17)	0.062 (4)	0.512 (9)
H15'	0.4158	0.1637	0.8254	0.074*	0.512 (9)

	U11	U22	U33	U12	U13	U23
Co	0.0260 (3)	0.0332 (3)	0.0288 (3)	0.0076 (2)	0.0100 (2)	0.0080 (2)
O1	0.0416 (19)	0.0388 (17)	0.0489 (18)	0.0177 (15)	0.0047 (15)	0.0077 (15)
O2	0.045 (2)	0.0374 (17)	0.0500 (19)	0.0156 (15)	0.0224 (15)	0.0082 (14)
O3	0.0319 (18)	0.052 (2)	0.054 (2)	−0.0014 (15)	0.0210 (15)	0.0051 (16)
O4	0.0237 (17)	0.051 (2)	0.056 (2)	0.0035 (15)	−0.0051 (15)	0.0008 (16)
N1	0.056 (2)	0.0509 (18)	0.0342 (15)	−0.0122 (15)	0.0144 (14)	0.0067 (13)
C1	0.017 (2)	0.027 (2)	0.049 (3)	0.0003 (16)	0.0098 (18)	0.0050 (19)
C2	0.019 (2)	0.027 (2)	0.052 (3)	0.0010 (16)	0.0096 (18)	0.0020 (19)
C3	0.026 (2)	0.058 (3)	0.040 (2)	0.011 (2)	−0.0007 (19)	−0.010 (2)
C4	0.027 (2)	0.054 (3)	0.034 (2)	0.014 (2)	0.0094 (18)	0.015 (2)
C5	0.018 (2)	0.029 (2)	0.035 (2)	0.0073 (16)	0.0076 (16)	0.0060 (17)
C6	0.026 (2)	0.043 (2)	0.034 (2)	0.0116 (19)	0.0066 (17)	0.0079 (18)
C7	0.032 (2)	0.037 (2)	0.055 (3)	0.016 (2)	0.021 (2)	0.019 (2)
C8	0.026 (2)	0.031 (2)	0.047 (3)	0.0101 (18)	0.013 (2)	0.0025 (19)
C9	0.051 (3)	0.057 (3)	0.074 (4)	0.004 (3)	−0.012 (3)	0.035 (3)
C10	0.128 (7)	0.085 (5)	0.041 (3)	−0.046 (5)	−0.023 (4)	0.047 (3)
C11	0.052 (3)	0.051 (3)	0.048 (3)	−0.005 (2)	0.031 (2)	0.005 (2)
N2	0.056 (2)	0.0509 (18)	0.0342 (15)	−0.0122 (15)	0.0144 (14)	0.0067 (13)
C12	0.064 (9)	0.051 (6)	0.041 (6)	−0.012 (5)	0.034 (6)	−0.005 (4)
C13	0.056 (9)	0.040 (6)	0.044 (5)	−0.007 (4)	0.038 (6)	−0.006 (4)
C14	0.060 (13)	0.074 (12)	0.043 (8)	−0.014 (7)	0.021 (8)	−0.005 (7)
C15	0.071 (12)	0.067 (9)	0.040 (8)	−0.002 (7)	0.022 (7)	0.011 (5)
C12'	0.064 (9)	0.051 (6)	0.041 (6)	−0.012 (5)	0.034 (6)	−0.005 (4)
C13'	0.056 (9)	0.040 (6)	0.044 (5)	−0.007 (4)	0.038 (6)	−0.006 (4)
C14'	0.060 (13)	0.074 (12)	0.043 (8)	−0.014 (7)	0.021 (8)	−0.005 (7)
C15'	0.071 (12)	0.067 (9)	0.040 (8)	−0.002 (7)	0.022 (7)	0.011 (5)

Co—O2i	2.008 (3)	C6—H6B	0.9700
Co—O3ii	2.035 (3)	C7—H7A	0.9700
Co—O1	2.044 (3)	C7—H7B	0.9700
Co—N1	2.044 (4)	C9—C10	1.388 (10)
Co—O4iii	2.117 (3)	C9—H9	0.9300
Co—Coi	2.7758 (10)	C10—N2	1.298 (11)
O1—C1	1.265 (5)	C10—H10	0.9300
O2—C1	1.260 (5)	C11—N2	1.303 (7)
O2—Coi	2.008 (3)	C11—H11	0.9300
O3—C8	1.268 (6)	N2—C12	1.395 (13)
O3—Coiv	2.035 (3)	N2—C12'	1.630 (14)
O4—C8	1.255 (5)	C12—C13	1.52 (2)
O4—Coiii	2.117 (3)	C12—H12A	0.9700
N1—C11	1.310 (7)	C12—H12B	0.9700
N1—C9	1.356 (7)	C13—C14	1.34 (3)
C1—C2	1.518 (6)	C13—C15	1.38 (2)
C2—C3	1.526 (6)	C14—C15v	1.47 (4)
C2—C7	1.528 (6)	C14—H14	0.9300
C2—H2	0.9800	C15—C14v	1.47 (4)
C3—C4	1.522 (6)	C15—H15	0.9300
C3—H3A	0.9700	C12'—C13'	1.507 (19)
C3—H3B	0.9700	C12'—H12C	0.9700
C4—C5	1.521 (5)	C12'—H12D	0.9700
C4—H4A	0.9700	C13'—C14'	1.35 (3)
C4—H4B	0.9700	C13'—C15'	1.40 (2)
C5—C8	1.513 (6)	C14'—C15'v	1.62 (3)
C5—C6	1.535 (6)	C14'—H14'	0.9300
C5—H5	0.9800	C15'—C14'v	1.62 (3)
C6—C7	1.529 (6)	C15'—H15'	0.9300
C6—H6A	0.9700
O2i—Co—O3ii	91.45 (14)	C2—C7—C6	111.7 (3)
O2i—Co—O1	164.36 (13)	C2—C7—H7A	109.3
O3ii—Co—O1	90.51 (14)	C6—C7—H7A	109.3
O2i—Co—N1	98.07 (16)	C2—C7—H7B	109.3
O3ii—Co—N1	104.53 (16)	C6—C7—H7B	109.3
O1—Co—N1	96.44 (16)	H7A—C7—H7B	107.9
O2i—Co—O4iii	88.63 (14)	O4—C8—O3	123.1 (4)
O3ii—Co—O4iii	164.38 (14)	O4—C8—C5	118.6 (4)
O1—Co—O4iii	85.35 (13)	O3—C8—C5	118.3 (4)
N1—Co—O4iii	90.91 (16)	N1—C9—C10	105.5 (7)
O2i—Co—Coi	81.73 (9)	N1—C9—H9	127.3
O3ii—Co—Coi	97.00 (10)	C10—C9—H9	127.3
O1—Co—Coi	82.63 (9)	N2—C10—C9	109.2 (5)
N1—Co—Coi	158.46 (13)	N2—C10—H10	125.4
O4iii—Co—Coi	67.55 (10)	C9—C10—H10	125.4
C1—O1—Co	124.3 (3)	N2—C11—N1	112.8 (6)
C1—O2—Coi	127.3 (3)	N2—C11—H11	123.6
C8—O3—Coiv	109.5 (3)	N1—C11—H11	123.6
C8—O4—Coiii	142.2 (3)	C10—N2—C11	106.6 (5)
C11—N1—C9	105.9 (5)	C10—N2—C12	105.7 (9)
C11—N1—Co	124.5 (4)	C11—N2—C12	147.6 (9)
C9—N1—Co	129.6 (4)	C10—N2—C12'	138.7 (7)
O2—C1—O1	123.6 (4)	C11—N2—C12'	114.6 (7)
O2—C1—C2	117.6 (4)	C12—N2—C12'	33.2 (7)
O1—C1—C2	118.8 (4)	N2—C12—C13	113.8 (10)
C1—C2—C3	112.7 (4)	N2—C12—H12A	108.8
C1—C2—C7	112.7 (4)	C13—C12—H12A	108.8
C3—C2—C7	109.5 (4)	N2—C12—H12B	108.8
C1—C2—H2	107.2	C13—C12—H12B	108.8
C3—C2—H2	107.2	H12A—C12—H12B	107.7
C7—C2—H2	107.2	C14—C13—C15	118.9 (18)
C4—C3—C2	112.5 (4)	C14—C13—C12	118.3 (16)
C4—C3—H3A	109.1	C15—C13—C12	122.6 (15)
C2—C3—H3A	109.1	C13—C14—C15v	98.2 (16)
C4—C3—H3B	109.1	C13—C14—H14	130.9
C2—C3—H3B	109.1	C15v—C14—H14	130.9
H3A—C3—H3B	107.8	C13—C15—C14v	141.3 (19)
C5—C4—C3	110.3 (4)	C13—C15—H15	109.3
C5—C4—H4A	109.6	C14v—C15—H15	109.3
C3—C4—H4A	109.6	C13'—C12'—N2	108.8 (9)
C5—C4—H4B	109.6	C13'—C12'—H12C	109.9
C3—C4—H4B	109.6	N2—C12'—H12C	109.9
H4A—C4—H4B	108.1	C13'—C12'—H12D	109.9
C8—C5—C4	114.2 (3)	N2—C12'—H12D	109.9
C8—C5—C6	112.8 (3)	H12C—C12'—H12D	108.3
C4—C5—C6	110.2 (3)	C14'—C13'—C15'	119.8 (17)
C8—C5—H5	106.3	C14'—C13'—C12'	121.5 (15)
C4—C5—H5	106.3	C15'—C13'—C12'	118.6 (13)
C6—C5—H5	106.3	C13'—C14'—C15'v	138.1 (19)
C7—C6—C5	111.1 (3)	C13'—C14'—H14'	111.0
C7—C6—H6A	109.4	C15'v—C14'—H14'	111.0
C5—C6—H6A	109.4	C13'—C15'—C14'v	100.5 (13)
C7—C6—H6B	109.4	C13'—C15'—H15'	129.7
C5—C6—H6B	109.4	C14'v—C15'—H15'	129.7
H6A—C6—H6B	108.0
O2i—Co—O1—C1	3.5 (7)	Coiv—O3—C8—O4	−5.3 (5)
O3ii—Co—O1—C1	100.7 (3)	Coiv—O3—C8—C5	172.4 (3)
N1—Co—O1—C1	−154.6 (3)	C4—C5—C8—O4	−153.7 (4)
O4iii—Co—O1—C1	−64.2 (3)	C6—C5—C8—O4	−26.8 (5)
Coi—Co—O1—C1	3.7 (3)	C4—C5—C8—O3	28.5 (5)
O2i—Co—N1—C11	−139.8 (4)	C6—C5—C8—O3	155.4 (4)
O3ii—Co—N1—C11	126.6 (4)	C11—N1—C9—C10	−0.6 (6)
O1—Co—N1—C11	34.4 (4)	Co—N1—C9—C10	179.1 (4)
O4iii—Co—N1—C11	−51.1 (4)	N1—C9—C10—N2	−0.2 (7)
Coi—Co—N1—C11	−51.9 (6)	C9—N1—C11—N2	1.2 (6)
O2i—Co—N1—C9	40.6 (5)	Co—N1—C11—N2	−178.5 (3)
O3ii—Co—N1—C9	−53.1 (5)	C9—C10—N2—C11	0.9 (7)
O1—Co—N1—C9	−145.3 (5)	C9—C10—N2—C12	−178.2 (7)
O4iii—Co—N1—C9	129.3 (5)	C9—C10—N2—C12'	177.2 (8)
Coi—Co—N1—C9	128.5 (5)	N1—C11—N2—C10	−1.3 (6)
Coi—O2—C1—O1	8.4 (6)	N1—C11—N2—C12	177.0 (12)
Coi—O2—C1—C2	−173.4 (3)	N1—C11—N2—C12'	−178.7 (6)
Co—O1—C1—O2	−8.0 (6)	C10—N2—C12—C13	−83.2 (12)
Co—O1—C1—C2	173.8 (3)	C11—N2—C12—C13	98.5 (15)
O2—C1—C2—C3	155.3 (4)	C12'—N2—C12—C13	91.3 (19)
O1—C1—C2—C3	−26.4 (5)	N2—C12—C13—C14	132.3 (16)
O2—C1—C2—C7	30.8 (5)	N2—C12—C13—C15	−54 (2)
O1—C1—C2—C7	−150.9 (4)	C15—C13—C14—C15v	−12 (3)
C1—C2—C3—C4	−70.3 (5)	C12—C13—C14—C15v	162.6 (15)
C7—C2—C3—C4	56.0 (5)	C14—C13—C15—C14v	18 (4)
C2—C3—C4—C5	−57.7 (5)	C12—C13—C15—C14v	−155 (3)
C3—C4—C5—C8	−175.0 (3)	C10—N2—C12'—C13'	−62.0 (14)
C3—C4—C5—C6	56.8 (5)	C11—N2—C12'—C13'	114.1 (10)
C8—C5—C6—C7	174.5 (3)	C12—N2—C12'—C13'	−70.1 (16)
C4—C5—C6—C7	−56.6 (5)	N2—C12'—C13'—C14'	90.6 (17)
C1—C2—C7—C6	71.5 (5)	N2—C12'—C13'—C15'	−85.0 (15)
C3—C2—C7—C6	−54.8 (5)	C15'—C13'—C14'—C15'v	18 (4)
C5—C6—C7—C2	56.1 (5)	C12'—C13'—C14'—C15'v	−158 (2)
Coiii—O4—C8—O3	12.1 (8)	C14'—C13'—C15'—C14'v	−12 (3)
Coiii—O4—C8—C5	−165.6 (3)	C12'—C13'—C15'—C14'v	163.8 (13)