Crystallography Open Database

Information card for entry 2206964

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Structure parameters

Chemical name	Tris(1H-benzimidazole-κN^3^)(oxydiacetate-κ^3^O,O',O'')cobalt(II)
Formula	C25 H22 Co N6 O5
Calculated formula	C25 H22 Co N6 O5
SMILES	[Co]12([n]3c[nH]c4ccccc34)([n]3c[nH]c4ccccc34)([n]3c[nH]c4ccccc34)OC(=O)C[O]1CC(=O)O2
Title of publication	Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II)
Authors of publication	Lei Cao; Duan-Jun Xu
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	10
Pages of publication	m2127 - m2129
a	12.2152 ± 0.0004 Å
b	10.312 ± 0.0002 Å
c	19.3617 ± 0.0004 Å
α	90°
β	91.257 ± 0.001°
γ	90°
Cell volume	2438.27 ± 0.11 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
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	0.07
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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