Crystallography Open Database

Information card for entry 7216113

Preview

Coordinates	7216113.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O
Chemical name	[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O
Formula	C20 H24 Co N6 O14
Calculated formula	C20 H16 Co N6 O14
SMILES	[Co]1([OH2])([OH2])([OH2])(ON(=[O]1)=O)[O]=n1ccc(cc1)c1ccn(=O)cc1.O=n1ccc(cc1)c1ccn(=O)cc1.N(=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	7.8139 ± 0.0002 Å
b	9.9126 ± 0.0003 Å
c	17.1863 ± 0.0005 Å
α	78.607 ± 0.001°
β	83.46 ± 0.001°
γ	85.615 ± 0.001°
Cell volume	1294.47 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1355
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1793
Weighted residual factors for all reflections included in the refinement	0.2094
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	7216113.cif
114348	2014-05-23	cif/ Adding structures of 7216110, 7216111, 7216112, 7216113, 7216114, 7216115 via cif-deposit CGI script.	7216113.cif