Crystallography Open Database

Information card for entry 7001402

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Structure parameters

Formula	C8 H29 Co N16 O18 S2
Calculated formula	C8 H29 Co N16 O18 S2
SMILES	[Co]123([N](O)=C(C(=[N]1O)N)N)([N](O)=C(C(=[N]2O)N)N)[N](O)=C(C(=[N]3O)N)N.S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].ON=C(N)C(=[NH2+])NO.O.O
Title of publication	Hydrogen-bonded pillars of alternating chiral complex cations and anions: 1. Synthesis, characterization, X-ray structure and thermal stability of catena-{[Co(H2oxado)3][Cr(C2O4)3]·5H2O} and of its precursor (H3oxado)[Co(H2oxado)3](SO4)2·2H2O
Authors of publication	Bélombé, M. M.; Nenwa, J.; Mbiangué, Y. A.; Majoumo-Mbé, F.; Lönnecke, P.; Hey-Hawkins, E.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	23
Pages of publication	4519 - 4525
a	9.3133 ± 0.0016 Å
b	10.9722 ± 0.0019 Å
c	14.634 ± 0.003 Å
α	87.182 ± 0.003°
β	84.305 ± 0.004°
γ	66.336 ± 0.003°
Cell volume	1362.8 ± 0.4 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 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	0.0811
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7001402.cif
179712	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/14.	7001402.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001402.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001402.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7001402.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001402.cif