Crystallography Open Database

Information card for entry 2211467

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Structure parameters

Chemical name	Tetraaquabis(1,3-benzimidazol-3-ium-1,3-diacetato)cobalt(II) hemihydrate
Formula	C22 H27 Co N4 O12.5
Calculated formula	C22 H27 Co N4 O12.5
Title of publication	Tetraaquabis(1,3-benzimidazol-3-ium-1,3-diacetato)cobalt(II) hemihydrate
Authors of publication	Ling Huang; Ding-Ben Chen
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	12
Pages of publication	m3532 - m3534
a	7.4237 ± 0.0009 Å
b	9.4197 ± 0.0011 Å
c	9.6478 ± 0.0011 Å
α	81.432 ± 0.002°
β	75.952 ± 0.002°
γ	77.838 ± 0.002°
Cell volume	636.38 ± 0.13 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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