Bis(μ-2,2′-bi-1H-imidazole-1,1′-di­acet­ato)bis­[diaqua­cobalt(II)] hexa­hydrate

Zhang, T.; Zhang, T.; Xu, F.; Liang, H.

doi:10.1107/S1600536809013701

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 5| May 2009| Pages m543-m544

doi:10.1107/S1600536809013701

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Bis(μ-2,2′-bi-1H-imidazole-1,1′-diacetato)bis[diaquacobalt(II)] hexahydrate

Tingting Zhang,^a Tao Zhang,^a Feng Xu ^a and Hongze Liang ^a ^*

^aState Key Laboratory Base of Novel Functional Materials and Preparation Science, Faculty of Materials Science and Chemical Engineering, Ningbo University, Ningbo 315211, People's Republic of China
^*Correspondence e-mail: lianghongze@nbu.edu.cn

(Received 31 March 2009; accepted 12 April 2009; online 22 April 2009)

The dinuclear title compound, [Co₂(C₁₀H₈N₄O₄)₂(H₂O)₄]·6H₂O, lies about an inversion centre. Each Co^II atom is six-coordinated by two water molecules, two carboxylate O atoms and two N atoms of two symmetry-related 2,2′-bi-1H-imidazole-1,1′-diacetate (L²⁻) ligands in a slightly distorted octahedral geometry. Molecules 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_r = 794.43
Monoclinic, C 2/c
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[F² > 2σ(F²)] = 0.027
wR(F²) = 0.074
S = 1.10
3625 reflections
218 parameters
H-atom parameters constrained
Δρ_max = 0.41 e Å⁻³
Δρ_min = −0.29 e Å⁻³

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) $[-x+2, y, -z+{\script{1\over 2}}]$ .

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⋯O7^iv	0.99	1.90	2.888 (2)	170
O8—H8C⋯O6^v	0.92	2.10	2.991 (2)	162
O8—H8D⋯O10^vi	0.91	1.85	2.756 (3)	173
O9—H9D⋯O8	0.97	2.02	2.931 (3)	157
O9—H9C⋯O7^vi	0.90	2.01	2.850 (2)	155
O10—H10C⋯O2^vii	0.96	1.97	2.927 (3)	174
O10—H10C⋯O3^vii	0.96	2.52	3.072 (2)	116
O10—H10D⋯O5^vii	1.00	2.18	3.155 (3)	165
O10—H10D⋯O3^vii	1.00	2.46	3.072 (2)	119
Symmetry codes: (ii) -x+2, -y+2, -z; (iii) x+1, y, z-1; (iv) $[x, -y+1, z-{\script{1\over 2}}]$ ; (v) $[x-{\script{1\over 2}}, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (vi) $[-x+1, y, -z+{\script{3\over 2}}]$ ; (vii) x, y, z+1.

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.

Supporting information

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

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

checkCIF report

Comment top

Although N-substituted derivatives of 2,2'-biimidazole have recently been developed (Atencio et al., 2004; Ghosh et al., 2006; Tadokoro & Nakasuji, 2000; Zhang & Liang, 2009), few corresponding metal complexes have been reported. Here we report the crystal structure of Co₂L₂(H₂O)₄.6H₂O [H₂L = 2,2'-(2,2'-biimidazole-1,1'-diyl)diacetic acid]. The complex molecule lies about an inversion centre, as shown in Fig. 1, and the Co^II atoms show a slightly distorted octahedral geometry. The dihedral angle between the two imidazole rings of each L^2- is 72.50 (6)°. Each Co^II atom is six-coordinated by two O atoms from different monodentate carboxylate groups, two O atoms from the coordinating water molecules and two N atoms from two symmetry-related L^2- ligands. Selected bond distances and angles are listed in Table 1. The Co—O/N distances are in the ranges 2.0796 (13)–2.1727 (14) Å and 2.1103 (14)–2.1153 (15) Å, respectively. The Co···Co distance is 5.4881 Å, indicating that there is no interaction between the two metal centres.

An extensive network of O—H···O hydrogen bonds links the complex and water molecules to produce a number of substructures in two dimensions. A typical two-dimensional sheet, approximately parallel to [001], is shown in Fig. 2. Additional weak C—H···O hydrogen bonds (Table 2) generate a three-dimensional framework.

Related literature top

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 top

2,2'-(2,2'-Biimidazole-1,1'-diyl)diacetic acid (Zhang et al., 2009) (0.1 g, 0.4 mmol) and Co(OH)₂ (0.0372 g, 0.4 mmol) freshly prepared from CoCl₂.6H₂O and NaOH were added to distilled water (10 ml). The reaction mixture was adjusted to pH 6 with aqueous NaOH solution and stirred at room temperature for 20 min during which time a clear pink solution resulted. Red single crystals of (I) appeared within several weeks by slow evaporation at room temperature.

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); 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 (Sheldrick, 2008).

Figures top

	Fig. 1. A view of (I), showing the labelling of the non-H atoms and 45% probability ellipsoids. H atoms have been omitted for clarity.
	Fig. 2. A perspective view of a two-dimensional sheet running parallel to [001], showing the packing mode and the O—H···O hydrogen-bonding interactions drawn as dashed lines. All H atoms not involved in the hydrogen-bond motifs have been omitted for clarity.

Bis(µ-2,2'-bi-1H-imidazole-1,1'-diacetato)bis[diaquacobalt(II)] hexahydrate top

Crystal data top

[Co₂(C₁₀H₈N₄O₄)₂(H₂O)₄]·6H₂O	F(000) = 1640
M_r = 794.43	D_x = 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

Data collection top

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

Refinement top

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(F_o²) + (0.0275P)² + 4.2044P] where P = (F_o² + 2F_c²)/3
S = 1.10	(Δ/σ)_max = 0.002
3625 reflections	Δρ_max = 0.41 e Å⁻³
218 parameters	Δρ_min = −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)

Crystal data top

[Co₂(C₁₀H₈N₄O₄)₂(H₂O)₄]·6H₂O	V = 3181.7 (13) Å³
M_r = 794.43	Z = 4
Monoclinic, C2/c	Mo Kα radiation
a = 15.902 (3) Å	µ = 1.13 mm⁻¹
b = 14.202 (3) Å	T = 295 K
c = 14.998 (3) Å	0.50 × 0.42 × 0.18 mm
β = 110.06 (3)°

Data collection top

Rigaku R-AXIS RAPID diffractometer	3625 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	3151 reflections with I > 2σ(I)
T_min = 0.570, T_max = 0.813	R_int = 0.029
15337 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.027	0 restraints
wR(F²) = 0.074	H-atom parameters constrained
S = 1.10	Δρ_max = 0.41 e Å⁻³
3625 reflections	Δρ_min = −0.29 e Å⁻³
218 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 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.

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

	x	y	z	U_iso*/U_eq
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)

Atomic displacement parameters (Å²) top

	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)

Geometric parameters (Å, º) top

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)

Symmetry code: (i) −x+2, y, −z+1/2.

Hydrogen-bond geometry (Å, º) top

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···O7^iv	0.99	1.90	2.888 (2)	170
O8—H8C···O6^v	0.92	2.10	2.991 (2)	162
O8—H8D···O10^vi	0.91	1.85	2.756 (3)	173
O9—H9D···O8	0.97	2.02	2.931 (3)	157
O9—H9C···O7^vi	0.90	2.01	2.850 (2)	155
O10—H10C···O2^vii	0.96	1.97	2.927 (3)	174
O10—H10C···O3^vii	0.96	2.52	3.072 (2)	116
O10—H10D···O5^vii	1.00	2.18	3.155 (3)	165
O10—H10D···O3^vii	1.00	2.46	3.072 (2)	119

Symmetry codes: (ii) −x+2, −y+2, −z; (iii) x+1, y, z−1; (iv) x, −y+1, z−1/2; (v) x−1/2, −y+3/2, z+1/2; (vi) −x+1, y, −z+3/2; (vii) x, y, z+1.

Experimental details

Crystal data
Chemical formula	[Co₂(C₁₀H₈N₄O₄)₂(H₂O)₄]·6H₂O
M_r	794.43
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	295
a, b, c (Å)	15.902 (3), 14.202 (3), 14.998 (3)
β (°)	110.06 (3)
V (Å³)	3181.7 (13)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.13
Crystal size (mm)	0.50 × 0.42 × 0.18

Data collection
Diffractometer	Rigaku R-AXIS RAPID diffractometer
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.570, 0.813
No. of measured, independent and observed [I > 2σ(I)] reflections	15337, 3625, 3151
R_int	0.029
(sin θ/λ)_max (Å⁻¹)	0.648

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.027, 0.074, 1.10
No. of reflections	3625
No. of parameters	218
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.41, −0.29

Computer programs: RAPID-AUTO (Rigaku, 1998), CrystalStructure (Rigaku/MSC, 2004), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected geometric parameters (Å, º) top

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

O3—Co1—N4	90.29 (6)	N4—Co1—N1ⁱ	94.46 (6)
O3—Co1—O6ⁱ	169.21 (5)	O6ⁱ—Co1—N1ⁱ	91.32 (6)
N4—Co1—O6ⁱ	96.47 (5)	O4—Co1—O5	92.21 (6)
O3—Co1—N1ⁱ	96.53 (6)

Symmetry code: (i) −x+2, y, −z+1/2.

Hydrogen-bond geometry (Å, º) top

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···O7^iv	0.99	1.90	2.888 (2)	170
O8—H8C···O6^v	0.92	2.10	2.991 (2)	162
O8—H8D···O10^vi	0.91	1.85	2.756 (3)	173
O9—H9D···O8	0.97	2.02	2.931 (3)	157
O9—H9C···O7^vi	0.90	2.01	2.850 (2)	155
O10—H10C···O2^vii	0.96	1.97	2.927 (3)	174
O10—H10C···O3^vii	0.96	2.52	3.072 (2)	116
O10—H10D···O5^vii	1.00	2.18	3.155 (3)	165
O10—H10D···O3^vii	1.00	2.46	3.072 (2)	119

Symmetry codes: (ii) −x+2, −y+2, −z; (iii) x+1, y, z−1; (iv) x, −y+1, z−1/2; (v) x−1/2, −y+3/2, z+1/2; (vi) −x+1, y, −z+3/2; (vii) x, y, z+1.

Acknowledgements

This project was sponsored by the Scientific Research Foundation of the State Education Ministry for Returned Overseas Chinese Scholars (grant No. 2006701), the Critical Projects in Science and Technology Department of Zhejiang Province (grant No. 2007C21113), the Education Committee of Zhejiang Province (grant Nos. 2005545, 20061696 and 2008934), the Natural Science Foundation of Ningbo City (grant No. 2007A610021) and the K. C. Wong Magna Fund of Ningbo University. The authors thank Mr W. Xu for collecting the X-ray data.

References

Atencio, R., Chacon, M., Gonzolez, T., Briceno, A., Agrifoglio, G. & Sierraalta, A. (2004). Dalton Trans. pp. 505–513. Web of Science CSD CrossRef Google Scholar
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Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokjo, Japan. Google Scholar
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Volume 65| Part 5| May 2009| Pages m543-m544

doi:10.1107/S1600536809013701

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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Bis(μ-2,2′-bi-1H-imidazole-1,1′-di­acet­ato)bis­­[di­aqua­cobalt(II)] hexa­hydrate

Related literature

Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

metal-organic compounds

Bis(μ-2,2′-bi-1H-imidazole-1,1′-diacetato)bis[diaquacobalt(II)] hexahydrate