Crystallography Open Database

Information card for entry 8102257

Preview

Coordinates	8102257.cif

Structure parameters

Formula	C4 H10 Co N2 O5
Calculated formula	C4 H10 Co N2 O5
SMILES	[Co]12(OC(=O)C[NH2]1)(OC(=O)C[NH2]2)[OH2]
Title of publication	Crystal structure of monoaqua-bis(glycinato-N,O)-cobalt(II), Co(H2O)(C2H4NO2)2
Authors of publication	Wen Wu; Ji-Min Xie; Ya-Wen Xuan; Yan-Min Hou
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	2
Pages of publication	133
a	5.2287 ± 0.001 Å
b	10.839 ± 0.002 Å
c	13.542 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	767.5 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102257.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102257.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102257.cif
12996	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102257 via cif-deposit CGI script.	8102257.cif