Crystallography Open Database

Information card for entry 7216115

Preview

Coordinates	7216115.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Co(H2O)5(bpdo))SO4 . 2H2O
Chemical name	[Co(H2O)5(bpdo)]SO4 . 2H2O
Formula	C10 H22 Co N2 O13 S
Calculated formula	C10 H22 Co N2 O13 S
SMILES	[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[O]=n1ccc(cc1)c1ccn(=O)cc1.S(=O)(=O)([O-])[O-].O.O
Title of publication	Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide
Authors of publication	Bourne, Susan A.; Moitsheki, Lesego J.
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	112
Pages of publication	674
a	7.122 ± 0.001 Å
b	25.319 ± 0.005 Å
c	10.241 ± 0.002 Å
α	90°
β	93.14 ± 0.03°
γ	90°
Cell volume	1843.9 ± 0.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation probe	x-ray
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
180492 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/61.	7216115.cif
114348	2014-05-23	cif/ Adding structures of 7216110, 7216111, 7216112, 7216113, 7216114, 7216115 via cif-deposit CGI script.	7216115.cif