Bis(μ-2,2'-bi-1H-imidazole-1,1'-di-acet-ato)bis-[diaqua-cobalt(II)] hexa-hydrate.

The dinuclear title compound, [Co(2)(C(10)H(8)N(4)O(4))(2)(H(2)O)(4)]·6H(2)O, lies about an inversion centre. Each Co(II) atom is six-coordinated by two water mol-ecules, two carboxyl-ate O atoms and two N atoms of two symmetry-related 2,2'-bi-1H-imidazole-1,1'-diacetate (L(2-)) ligands in a slightly distorted octa-hedral geometry. Mol-ecules are linked into a three-dimensional framework via O-H⋯O and C-H⋯O hydrogen bonds.

Related literature

For background to 2,2′-biimidazole derivatives, see: Atencio et al. (2004 ▶); Ghosh et al. (2006 ▶); Tadokoro & Nakasuji (2000 ▶); Zhang & Liang (2009 ▶). For the preparation of the ligand, see: Zhang et al. (2009 ▶).

Experimental

Crystal data

[Co2(C10H8N4O4)2(H2O)4]·6H2O

M = 794.43

Monoclinic,

a = 15.902 (3) Å

b = 14.202 (3) Å

c = 14.998 (3) Å

β = 110.06 (3)°

V = 3181.7 (13) Å3

Z = 4

Mo Kα radiation

μ = 1.13 mm−1

T = 295 K

0.50 × 0.42 × 0.18 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.570, T max = 0.813

15337 measured reflections

3625 independent reflections

3151 reflections with I > 2σ(I)

R int = 0.029

Refinement

R[F 2 > 2σ(F 2)] = 0.027

wR(F 2) = 0.074

S = 1.10

3625 reflections

218 parameters

H-atom parameters constrained

Δρmax = 0.41 e Å−3

Δρmin = −0.29 e Å−3

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004 ▶); 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: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809013701/sj2607sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809013701/sj2607Isup2.hkl

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

[Co2(C10H8N4O4)2(H2O)4]·6H2O	F(000) = 1640
Mr = 794.43	Dx = 1.658 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 15337 reflections
a = 15.902 (3) Å	θ = 3.1–27.4°
b = 14.202 (3) Å	µ = 1.13 mm−1
c = 14.998 (3) Å	T = 295 K
β = 110.06 (3)°	Block, red
V = 3181.7 (13) Å3	0.50 × 0.42 × 0.18 mm
Z = 4

Rigaku R-AXIS RAPID diffractometer	3625 independent reflections
Radiation source: fine-focus sealed tube	3151 reflections with I > 2σ(I)
graphite	Rint = 0.029
ω scans	θmax = 27.4°, θmin = 3.1°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −20→19
Tmin = 0.570, Tmax = 0.813	k = −18→18
15337 measured reflections	l = −19→19

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)] = 0.027	H-atom parameters constrained
wR(F2) = 0.074	w = 1/[σ2(Fo2) + (0.0275P)2 + 4.2044P] where P = (Fo2 + 2Fc2)/3
S = 1.10	(Δ/σ)max = 0.002
3625 reflections	Δρmax = 0.41 e Å−3
218 parameters	Δρmin = −0.29 e Å−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0061 (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 base. 0 d 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
Co1	1.023692 (15)	0.749865 (14)	0.077182 (15)	0.01916 (9)
N1	0.91453 (10)	0.82568 (10)	0.29571 (10)	0.0224 (3)
N2	0.88351 (10)	0.58280 (10)	0.21753 (10)	0.0243 (3)
N3	0.88985 (10)	0.91865 (10)	0.17141 (10)	0.0248 (3)
N4	0.93715 (9)	0.67422 (10)	0.13078 (9)	0.0209 (3)
O2	0.89286 (9)	0.98537 (9)	−0.05853 (9)	0.0285 (3)
O3	0.92283 (9)	0.84716 (9)	0.01511 (9)	0.0323 (3)
O4	1.11054 (11)	0.82618 (9)	0.02372 (11)	0.0389 (4)
H4D	1.1043	0.8825	0.0295	0.047*
H4C	1.1409	0.8131	−0.0181	0.047*
O5	0.96590 (9)	0.67292 (9)	−0.05502 (9)	0.0319 (3)
H5D	1.0017	0.6536	−0.0797	0.038*
H5C	0.9304	0.6160	−0.0524	0.038*
O6	0.87182 (9)	0.64981 (8)	0.38539 (9)	0.0280 (3)
O7	0.87743 (10)	0.50471 (9)	0.44485 (9)	0.0344 (3)
O8	0.19082 (11)	0.79054 (12)	0.88353 (11)	0.0472 (4)
H8C	0.2507	0.7990	0.8941	0.057*
H8D	0.1575	0.8073	0.8230	0.057*
O9	0.10278 (12)	0.61000 (12)	0.88740 (11)	0.0501 (4)
H9D	0.1444	0.6586	0.8843	0.060*
H9C	0.1196	0.5660	0.9336	0.060*
O10	0.89665 (17)	0.84232 (17)	0.80245 (13)	0.0832 (7)
H10C	0.8954	0.8928	0.8449	0.100*
H10D	0.9155	0.7956	0.8558	0.100*
C1	0.95208 (11)	0.87378 (11)	0.24321 (11)	0.0198 (3)
C2	0.82375 (12)	0.83991 (14)	0.25327 (13)	0.0301 (4)
H2A	0.7800	0.8144	0.2743	0.036*
C6	0.95635 (11)	0.62664 (11)	0.21149 (11)	0.0187 (3)
C7	0.81313 (12)	0.60473 (14)	0.13716 (14)	0.0324 (4)
H7A	0.7541	0.5850	0.1218	0.039*
C3	0.80770 (13)	0.89635 (14)	0.17667 (13)	0.0317 (4)
H3A	0.7521	0.9161	0.1357	0.038*
C8	0.84668 (12)	0.66100 (13)	0.08439 (13)	0.0282 (4)
H8A	0.8137	0.6868	0.0258	0.034*
C4	0.90598 (15)	0.98220 (12)	0.10244 (13)	0.0312 (4)
H4B	0.9627	1.0140	0.1324	0.037*
H4A	0.8595	1.0298	0.0849	0.037*
C5	0.90808 (11)	0.93378 (12)	0.01265 (12)	0.0221 (3)
C9	0.88299 (15)	0.51645 (13)	0.29141 (14)	0.0329 (4)
H9A	0.9370	0.4786	0.3080	0.039*
H9B	0.8324	0.4743	0.2657	0.039*
C10	0.87762 (11)	0.56101 (12)	0.38158 (12)	0.0240 (3)

	U11	U22	U33	U12	U13	U23
Co1	0.02548 (14)	0.01487 (13)	0.01840 (13)	0.00047 (8)	0.00914 (9)	0.00001 (8)
N1	0.0240 (7)	0.0230 (7)	0.0228 (7)	0.0021 (6)	0.0112 (6)	0.0027 (6)
N2	0.0274 (7)	0.0254 (7)	0.0227 (7)	−0.0072 (6)	0.0119 (6)	−0.0030 (6)
N3	0.0320 (8)	0.0233 (7)	0.0214 (7)	0.0078 (6)	0.0119 (6)	0.0055 (6)
N4	0.0218 (7)	0.0216 (7)	0.0185 (6)	−0.0003 (5)	0.0058 (5)	0.0003 (5)
O2	0.0384 (7)	0.0241 (6)	0.0231 (6)	−0.0005 (5)	0.0105 (5)	0.0048 (5)
O3	0.0421 (8)	0.0207 (6)	0.0303 (7)	0.0092 (5)	0.0076 (6)	0.0011 (5)
O4	0.0662 (10)	0.0198 (6)	0.0475 (8)	−0.0039 (6)	0.0412 (8)	−0.0004 (6)
O5	0.0413 (8)	0.0264 (7)	0.0284 (7)	−0.0011 (6)	0.0125 (6)	−0.0068 (5)
O6	0.0312 (7)	0.0204 (6)	0.0337 (7)	−0.0046 (5)	0.0129 (6)	−0.0023 (5)
O7	0.0513 (9)	0.0243 (6)	0.0302 (7)	−0.0067 (6)	0.0173 (6)	0.0013 (5)
O8	0.0448 (9)	0.0605 (10)	0.0420 (8)	0.0034 (8)	0.0223 (7)	0.0040 (8)
O9	0.0700 (11)	0.0437 (9)	0.0418 (9)	0.0050 (8)	0.0260 (8)	0.0003 (7)
O10	0.1034 (17)	0.1029 (17)	0.0366 (10)	0.0215 (14)	0.0152 (11)	−0.0105 (10)
C1	0.0246 (9)	0.0172 (7)	0.0190 (7)	0.0025 (6)	0.0091 (6)	0.0002 (6)
C2	0.0239 (9)	0.0388 (10)	0.0316 (9)	0.0046 (8)	0.0145 (7)	0.0050 (8)
C6	0.0215 (8)	0.0153 (7)	0.0199 (7)	−0.0008 (6)	0.0080 (7)	−0.0015 (6)
C7	0.0213 (8)	0.0408 (11)	0.0335 (10)	−0.0072 (8)	0.0075 (7)	−0.0082 (8)
C3	0.0264 (9)	0.0390 (10)	0.0295 (9)	0.0116 (8)	0.0091 (8)	0.0044 (8)
C8	0.0229 (8)	0.0342 (10)	0.0237 (8)	0.0009 (7)	0.0032 (7)	−0.0017 (7)
C4	0.0508 (12)	0.0193 (8)	0.0260 (9)	0.0080 (8)	0.0163 (8)	0.0070 (7)
C5	0.0207 (8)	0.0219 (8)	0.0228 (8)	0.0022 (6)	0.0062 (6)	0.0021 (7)
C9	0.0479 (12)	0.0218 (8)	0.0364 (10)	−0.0103 (8)	0.0241 (9)	−0.0018 (8)
C10	0.0236 (8)	0.0228 (8)	0.0269 (8)	−0.0067 (7)	0.0103 (7)	−0.0019 (7)

Co1—O3	2.0796 (13)	O6—C10	1.267 (2)
Co1—N4	2.1103 (14)	O6—Co1i	2.1108 (13)
Co1—O6i	2.1108 (13)	O7—C10	1.242 (2)
Co1—N1i	2.1153 (15)	O8—H8C	0.9180
Co1—O4	2.1177 (14)	O8—H8D	0.9119
Co1—O5	2.1727 (14)	O9—H9D	0.9684
N1—C1	1.329 (2)	O9—H9C	0.9028
N1—C2	1.378 (2)	O10—H10C	0.9636
N1—Co1i	2.1153 (15)	O10—H10D	1.0029
N2—C6	1.345 (2)	C1—C1i	1.467 (3)
N2—C7	1.370 (2)	C2—C3	1.351 (3)
N2—C9	1.457 (2)	C2—H2A	0.9300
N3—C1	1.347 (2)	C6—C6i	1.470 (3)
N3—C3	1.373 (2)	C7—C8	1.356 (3)
N3—C4	1.460 (2)	C7—H7A	0.9300
N4—C6	1.327 (2)	C3—H3A	0.9300
N4—C8	1.379 (2)	C8—H8A	0.9300
O2—C5	1.248 (2)	C4—C5	1.523 (2)
O3—C5	1.251 (2)	C4—H4B	0.9700
O4—H4D	0.8143	C4—H4A	0.9700
O4—H4C	0.9320	C9—C10	1.522 (3)
O5—H5D	0.8252	C9—H9A	0.9700
O5—H5C	0.9945	C9—H9B	0.9700
O3—Co1—N4	90.29 (6)	H10C—O10—H10D	91.9
O3—Co1—O6i	169.21 (5)	N1—C1—N3	111.15 (15)
N4—Co1—O6i	96.47 (5)	N1—C1—C1i	125.05 (16)
O3—Co1—N1i	96.53 (6)	N3—C1—C1i	123.68 (16)
N4—Co1—N1i	94.46 (6)	C3—C2—N1	110.01 (16)
O6i—Co1—N1i	91.32 (6)	C3—C2—H2A	125.0
O3—Co1—O4	89.63 (6)	N1—C2—H2A	125.0
N4—Co1—O4	179.80 (5)	N4—C6—N2	111.28 (14)
O6i—Co1—O4	83.63 (6)	N4—C6—C6i	125.21 (15)
N1i—Co1—O4	85.36 (6)	N2—C6—C6i	123.35 (16)
O3—Co1—O5	84.59 (6)	C8—C7—N2	106.34 (16)
N4—Co1—O5	87.97 (5)	C8—C7—H7A	126.8
O6i—Co1—O5	87.26 (6)	N2—C7—H7A	126.8
N1i—Co1—O5	177.31 (5)	C2—C3—N3	106.24 (16)
O4—Co1—O5	92.21 (6)	C2—C3—H3A	126.9
C1—N1—C2	105.27 (14)	N3—C3—H3A	126.9
C1—N1—Co1i	129.17 (12)	C7—C8—N4	109.68 (16)
C2—N1—Co1i	125.45 (12)	C7—C8—H8A	125.2
C6—N2—C7	107.33 (15)	N4—C8—H8A	125.2
C6—N2—C9	125.47 (16)	N3—C4—C5	114.20 (15)
C7—N2—C9	126.89 (16)	N3—C4—H4B	108.7
C1—N3—C3	107.32 (14)	C5—C4—H4B	108.7
C1—N3—C4	126.82 (16)	N3—C4—H4A	108.7
C3—N3—C4	125.82 (16)	C5—C4—H4A	108.7
C6—N4—C8	105.35 (14)	H4B—C4—H4A	107.6
C6—N4—Co1	129.08 (11)	O2—C5—O3	125.60 (16)
C8—N4—Co1	125.51 (11)	O2—C5—C4	115.77 (15)
C5—O3—Co1	140.80 (12)	O3—C5—C4	118.62 (15)
Co1—O4—H4D	110.1	N2—C9—C10	115.06 (15)
Co1—O4—H4C	135.1	N2—C9—H9A	108.5
H4D—O4—H4C	112.2	C10—C9—H9A	108.5
Co1—O5—H5D	115.8	N2—C9—H9B	108.5
Co1—O5—H5C	116.2	C10—C9—H9B	108.5
H5D—O5—H5C	103.6	H9A—C9—H9B	107.5
C10—O6—Co1i	128.25 (12)	O7—C10—O6	125.95 (17)
H8C—O8—H8D	110.6	O7—C10—C9	115.27 (15)
H9D—O9—H9C	120.2	O6—C10—C9	118.76 (15)

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4D···O2ii	0.81	1.92	2.7309 (19)	171
O4—H4C···O8iii	0.93	1.93	2.855 (2)	173
O5—H5D···O9iii	0.83	1.94	2.752 (2)	169
O5—H5C···O7iv	0.99	1.90	2.888 (2)	170
O8—H8C···O6v	0.92	2.10	2.991 (2)	162
O8—H8D···O10vi	0.91	1.85	2.756 (3)	173
O9—H9D···O8	0.97	2.02	2.931 (3)	157
O9—H9C···O7vi	0.90	2.01	2.850 (2)	155
O10—H10C···O2vii	0.96	1.97	2.927 (3)	174
O10—H10C···O3vii	0.96	2.52	3.072 (2)	116
O10—H10D···O5vii	1.00	2.18	3.155 (3)	165
O10—H10D···O3vii	1.00	2.46	3.072 (2)	119

Table 1

Selected geometric parameters (Å, °)

Co1—O3	2.0796 (13)
Co1—N4	2.1103 (14)
Co1—O6i	2.1108 (13)
Co1—N1i	2.1153 (15)
Co1—O4	2.1177 (14)
Co1—O5	2.1727 (14)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O4—H4D⋯O2ii	0.81	1.92	2.7309 (19)	171
O4—H4C⋯O8iii	0.93	1.93	2.855 (2)	173
O5—H5D⋯O9iii	0.83	1.94	2.752 (2)	169
O5—H5C⋯O7iv	0.99	1.90	2.888 (2)	170
O8—H8C⋯O6v	0.92	2.10	2.991 (2)	162
O8—H8D⋯O10vi	0.91	1.85	2.756 (3)	173
O9—H9D⋯O8	0.97	2.02	2.931 (3)	157
O9—H9C⋯O7vi	0.90	2.01	2.850 (2)	155
O10—H10C⋯O2vii	0.96	1.97	2.927 (3)	174
O10—H10C⋯O3vii	0.96	2.52	3.072 (2)	116
O10—H10D⋯O5vii	1.00	2.18	3.155 (3)	165
O10—H10D⋯O3vii	1.00	2.46	3.072 (2)	119

Symmetry codes: (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .