Bis[μ-4-(4-carb­oxy­phen­oxy)phthalato]bis­[triaqua­cobalt(II)]

Wang, L.

doi:10.1107/S1600536813000536

Volume 69
Part 2
Page m101
February 2013

Received 14 November 2012
Accepted 7 January 2013
Online 12 January 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R = 0.059
wR = 0.116
Data-to-parameter ratio = 13.1
Details

Bis[-4-(4-carboxyphenoxy)phthalato]bis[triaquacobalt(II)]

Liang Wang ^a ^*

^aDepartment of Chemistry, University of Science and Technology Beijing, Beijing 100083, People's Republic of China
Correspondence e-mail: chg_2010@qq.com

The dinuclear title complex, [Co₂(C₁₅H₈O₇)₂(H₂O)₆], lies across an inversion center. The unique Co^II ion is coordinated in a slightly distorted octahedral coordination geometry by two O atoms from a chelating 4-(carboxyphenoxy)phthalate ligand, three water O atoms and a further O atom from a bridging carboxylate group of a symmetry-related 4-(carboxyphenoxy)phthalate ligand. In the crystal, O-HO hydrogen bonds link the molecules into a three-dimensional network.

Related literature

For background to metal-organic coordination complexes, see: Wang et al. (2009); Leininger et al. (2000). For Co-O bond lengths in related structures, see: Chu et al. (2011). For the isotypic Ni^II complex and the synthesis, see: Cai (2011).

Experimental

Crystal data

[Co₂(C₁₅H₈O₇)₂(H₂O)₆]
M_r = 826.38
Monoclinic, P 2₁ /c
a = 14.451 (11) Å
b = 9.558 (7) Å
c = 11.404 (9) Å
= 92.749 (15)°
V = 1573 (2) Å³
Z = 2
Mo K radiation
= 1.15 mm^-1
T = 293 K
0.15 × 0.12 × 0.10 mm

Data collection

Bruker APEXII diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) T_min = 0.847, T_max = 0.894
8135 measured reflections
3087 independent reflections
1591 reflections with I > 2(I)
R_int = 0.115

Refinement

R[F² > 2(F²)] = 0.059
wR(F²) = 0.116
S = 0.90
3087 reflections
235 parameters
9 restraints
H-atom parameters constrained
_max = 0.41 e Å^-3
_min = -0.61 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O8-H8BO1ⁱ	0.85	2.06	2.839 (5)	152
O6-H6AO2ⁱⁱ	0.85	1.77	2.598 (5)	165
O8-H8AO7ⁱⁱⁱ	0.84	2.14	2.865 (6)	144
O9-H9AO3^iv	0.85	2.06	2.861 (5)	157
O9-H9BO7^v	0.85	1.93	2.754 (5)	163
O10-H10AO2^vi	0.85	2.10	2.788 (5)	138
O10-H10BO3^vii	0.85	1.96	2.746 (5)	155
Symmetry codes: (i) $[-x+3, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) -x+4, -y, -z; (iii) x-1, y, z; (iv) $[-x+3, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (v) $[x-1, -y-{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (vi) $[x, -y-{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (vii) -x+3, -y, -z+1.

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5557 ).

Acknowledgements

The author thanks the University of Science and Technology, Beijing, for support.

References

Bruker (2001). SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Cai, X. (2011). Acta Cryst. E67, m60.
Chu, Q., Su, Z., Fan, J., Okamura, T., Lv, G.-C., Liu, G.-X., Sun, W.-Y. & Ueyama, N. (2011). Cryst. Growth Des. 11, 3885-3894.
Leininger, S., Olenyuk, B. & Stang, P. J. (2000). Chem. Rev. 100, 853-908.
Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Wang, H., Zhang, D., Sun, D., Chen, Y., Zhang, L.-F., Tian, L., Jiang, J. & Ni, Z.-H. (2009). Cryst. Growth Des. 9, 5273-5282.

metal-organic compounds