Crystallography Open Database

Information card for entry 2204522

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Structure parameters

Chemical name	Diaquabis(4-chlorobenzoato-κO)bis(1H-imidazole-κN^3^)cobalt(II)
Formula	C20 H20 Cl2 Co N4 O6
Calculated formula	C20 H20 Cl2 Co N4 O6
SMILES	[Co](OC(=O)c1ccc(Cl)cc1)(OC(=O)c1ccc(Cl)cc1)([OH2])([OH2])([n]1c[nH]cc1)[n]1c[nH]cc1
Title of publication	Diaquabis(4-chlorobenzoato-κ<i>O</i>)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)
Authors of publication	Tu-Gen Xu; Duan-Jun Xu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	m1669 - m1671
a	13.2773 ± 0.0011 Å
b	5.4948 ± 0.0006 Å
c	16.0402 ± 0.0014 Å
α	90°
β	95.7432 ± 0.0018°
γ	90°
Cell volume	1164.36 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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