Hexakis(1H-imidazole-κN3)cobalt(II) triaqua­tris(1H-imidazole-κN3)cobalt(II) bis­(naphthalene-1,4-dicarboxyl­ate)

Nie, J.-J.; Li, J.-H.; Xu, D.-J.

doi:10.1107/S1600536809023794

Volume 65
Part 7
Pages m822-m823
July 2009

Received 18 June 2009
Accepted 21 June 2009
Online 27 June 2009

Key indicators
Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R = 0.039
wR = 0.100
Data-to-parameter ratio = 13.8
Details

Hexakis(1H-imidazole-N³)cobalt(II) triaquatris(1H-imidazole-N³)cobalt(II) bis(naphthalene-1,4-dicarboxylate)

Jing-Jing Nie,^a Jun-Hua Li ^a and Duan-Jun Xu ^a ^*

^aDepartment of Chemistry, Zhejiang University, People's Republic of China
Correspondence e-mail: xudj@mail.hz.zj.cn

The asymmetric unit of the title compound, [Co(C₃H₄N₂)₆][Co(C₃H₄N₂)₃(H₂O)₃](C₁₂H₆O₄)₂, contains two halves of crystallographically independent Co^II complex cations, each assuming a distorted octahedral geometry, and one uncoordinated naphthalene-1,4-dicarboxylate dianion. One Co^II cation is located on an inversion center and is coordinated by six imidazole molecules, while the other Co^II cation is located on a twofold rotation axis and is coordinated by three water and three imidazole molecules. The uncoordinated naphthalene-1,4-dicarboxylate dianion links both Co^II complex cations via O-HO and N-HO hydrogen bonding. One imidazole ligand is equally disordered over two sites about a twofold rotation axis, while the coordinated N atom of the imidazole is located on the twofold rotation axis. One water O atom has site symmetry 2.

Related literature

For general background to the nature of [pi] - [pi] stacking, see: Su & Xu (2004); Xu et al. (2007). For related structures, see: Derissen et al. (1979); Li et al. (2008a,b).

Experimental

Crystal data

[Co(C₃H₄N₂)₆][Co(C₃H₄N₂)₃(H₂O)₃](C₁₂H₆O₄)₂
M_r = 1212.98
Orthorhombic, P c c n
a = 29.388 (3) Å
b = 9.3275 (11) Å
c = 20.475 (2) Å
V = 5612.5 (10) Å³
Z = 4
Mo K radiation
= 0.67 mm^-1
T = 294 K
0.36 × 0.32 × 0.26 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) T_min = 0.735, T_max = 0.840
57832 measured reflections
5058 independent reflections
3916 reflections with I > 2(I)
R_int = 0.061

Refinement

R[F² > 2(F²)] = 0.039
wR(F²) = 0.100
S = 1.07
5058 reflections
367 parameters
5 restraints
H-atom parameters constrained
_max = 0.82 e Å^-3
_min = -0.41 e Å^-3

Table 1
Selected bond lengths (Å)

Co1-N1	2.146 (2)
Co1-N3	2.165 (2)
Co1-N5	2.174 (2)
Co2-O1W	2.1864 (17)
Co2-O2W	2.064 (2)
Co2-N7	2.166 (2)
Co2-N9	2.101 (3)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1AO4	0.93	1.85	2.768 (3)	168
O1W-H1BO1ⁱ	0.85	2.04	2.883 (3)	173
O2W-H2AO3	0.85	1.79	2.625 (3)	171
N2-H2NO4	0.86	1.87	2.725 (3)	174
N4-H4NO2ⁱⁱ	0.86	1.91	2.766 (3)	178
N6-H6NO2ⁱⁱⁱ	0.86	1.97	2.827 (3)	176
N8-H8NO1^iv	0.86	2.03	2.869 (3)	166
N10-H10AO3^v	0.86	1.89	2.658 (5)	149
Symmetry codes: (i) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (ii) $[x, -y-{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (iii) -x+1, -y, -z+1; (iv) $[x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (v) $[-x+{\script{3\over 2}}, y, z+{\script{1\over 2}}]$ .

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HK2715 ).

Acknowledgements

The work was supported by the ZIJIN project of Zhejiang University, China.

References

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