Crystallography Open Database

Information card for entry 7216111

Preview

Coordinates	7216111.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Co(H2O)6)Cl2 . 2(bpdo) . 2(H2O)
Chemical name	[Co(H2O)6]Cl2 . 2(bpdo) . 2(H2O)
Formula	C20 H32 Cl2 Co N4 O12
Calculated formula	C20 H16 Cl2 Co N4 O12
SMILES	c1n(ccc(c1)c1ccn(=O)cc1)=O.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].[Cl-].O.c1cc(ccn1=O)c1ccn(=O)cc1.[Cl-].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	6.7328 ± 0.0002 Å
b	10.2841 ± 0.0003 Å
c	10.6577 ± 0.0003 Å
α	85.2 ± 0.001°
β	70.023 ± 0.001°
γ	91.103 ± 0.001°
Cell volume	690.21 ± 0.03 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1552
Residual factor for significantly intense reflections	0.1055
Weighted residual factors for significantly intense reflections	0.2736
Weighted residual factors for all reflections included in the refinement	0.3124
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 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.	7216111.cif
114348	2014-05-23	cif/ Adding structures of 7216110, 7216111, 7216112, 7216113, 7216114, 7216115 via cif-deposit CGI script.	7216111.cif