Crystallography Open Database

Information card for entry 4123995

Preview

Coordinates	4123995.cif

Structure parameters

Chemical name	Co5 (O H)6 (S O4)2 (H2 O)4
Formula	Co5 H14 O18 S2
Calculated formula	Co5 H14 O18 S2
SMILES	[Co]([OH2])([OH2])([OH2])[OH2].[Co+2].[Co+2].[Co+2].[Co+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].O.O.O.O
Title of publication	Nuclear and magnetic structures and magnetic properties of the layered cobalt hydroxysulfate Co5 (O H)6 (S O4)2 (H2 O)4 and its deuterated analogue, Co5 (O D)6 (S O4)2 (D2 O)4
Authors of publication	Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Andre, G.; Takagi, S.; Mhiri, T.; Richard-Plouet, M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	7972 - 7981
a	5.4698 Å
b	6.3435 Å
c	20.5471 Å
α	90°
β	91.709°
γ	90°
Cell volume	712.62 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	4123995.cif
150465	2015-07-13	cif/ Adding structures of 4123995 via cif-deposit CGI script.	4123995.cif