Crystallography Open Database

Information card for entry 1518356

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Structure parameters

Formula	C2 H13 Co N4 O9
Calculated formula	C2 H13 Co N4 O9
SMILES	[Co]1([NH3])([NH3])([NH3])(OC(=O)C(=O)O1)[OH2].O.N(=O)(=O)[O-]
Title of publication	Crystallization and Structure Determination of Fac-Triammin-Aquo-Oxalato-Cobalt (III)-Nitrate Monohydrate
Authors of publication	Hrib, Cristian; Blaurock, Steffen; Edelmann, Frank
Journal of publication	Crystals
Year of publication	2014
Journal volume	4
Journal issue	4
Pages of publication	490
a	7.8532 ± 0.0016 Å
b	10 ± 0.002 Å
c	13.192 ± 0.003 Å
α	90°
β	105.06 ± 0.03°
γ	90°
Cell volume	1000.4 ± 0.4 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	5
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	0.0793
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	0.881
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1518356.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518356.cif
128100	2014-12-04	cif/ Adding structures of 1518356 via cif-deposit CGI script.	1518356.cif