Triaqua­(cyclo­hex-4-ene-1,2-dicarboxyl­ato-κO1)(1,10-phenanthroline-κ2N,N′)cobalt(II)

Li, H.-Y.; Wang, C.; Huang, F.-P.; Jiang, Y.-M.

doi:10.1107/S160053681204024X

Volume 68
Part 11
Pages m1375-m1376
November 2012

Received 6 September 2012
Accepted 22 September 2012
Online 20 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R = 0.061
wR = 0.122
Data-to-parameter ratio = 12.2
Details

Triaqua(cyclohex-4-ene-1,2-dicarboxylato-O¹)(1,10-phenanthroline-²N,N')cobalt(II)

Hai-Ye Li,^a Cheng Wang,^a Fu-Ping Huang ^a and Yi-Min Jiang ^a ^*

^aCollege of Chemistry and Chemical Engineering, Guangxi Normal University, Guilin, Guangxi 541004, People's Republic of China
Correspondence e-mail: huangfp2006@163.com

In the title compound, [Co(C₈H₈O₄)(C₁₂H₈N₂)(H₂O)₃], the Co^II atom is coordinated by two N atoms from a bidentate 1,10-phenanthroline ligand, one O atom from a monodentate 4-cyclohexene-1,2-dicarboxylate ligand and three water O atoms in a distorted octahedral geometry. The mononuclear molecules are engaged in extensive intra- and intermolecular O-HO hydrogen-bonding interactions and [pi] - [pi] stacking interactions [centroid-centroid distance = 3.784 (3) Å], forming a three-dimensional supramolecular network.

Related literature

For background to compounds with metal-organic framework structures, see: Huang et al. (2010); Ockwig et al. (2005); Rao et al. (2004). For a description of the Cambridge Structural Database (CSD), see: Allen (2002). For 4-cyclohexene-1,2-dicarboxylates, see: Kim et al. (2004); Lee et al. (2006). For related structures, see: Baruah et al. (2007); Hou et al. (2007); Zhang et al. (2008).

Experimental

Crystal data

[Co(C₈H₈O₄)(C₁₂H₈N₂)(H₂O)₃]
M_r = 461.33
Monoclinic, P 2₁ /c
a = 8.1730 (16) Å
b = 20.210 (4) Å
c = 12.068 (2) Å
= 91.44 (3)°
V = 1992.7 (7) Å³
Z = 4
Mo K radiation
= 0.91 mm^-1
T = 293 K
0.40 × 0.20 × 0.08 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.801, T_max = 0.945
15996 measured reflections
3606 independent reflections
2982 reflections with I > 2(I)
R_int = 0.073

Refinement

R[F² > 2(F²)] = 0.061
wR(F²) = 0.122
S = 0.99
3606 reflections
295 parameters
9 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.28 e Å^-3
_min = -0.34 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H5AO3ⁱ	0.85 (3)	1.85 (3)	2.695 (4)	171 (4)
O5-H5BO4	0.86 (4)	2.06 (4)	2.912 (4)	172 (4)
O6-H6AO4ⁱ	0.86 (3)	1.86 (4)	2.716 (4)	174 (5)
O6-H6BO3	0.86 (3)	1.99 (3)	2.835 (4)	165 (3)
O7-H7AO2	0.86 (3)	1.77 (4)	2.610 (4)	165 (4)
O7-H7BO4ⁱⁱ	0.86 (3)	1.87 (3)	2.734 (4)	175 (4)
Symmetry codes: (i) -x+1, -y+1, -z; (ii) x-1, y, z.

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.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZQ2181 ).

Acknowledgements

We gratefully acknowledge the Guangxi Natural Science Foundation of China (2010GXNSFD013017, 2012GXNSFBA053017) and the Natural Science Foundation of Guangxi Normal University.

References

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