Crystallography Open Database

Information card for entry 2238278

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Structure parameters

Common name	Tetrammine-Carbonatocobalt(III) Nitrate
Chemical name	Tetraammine(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)
Formula	C H12 Co N5 O6
Calculated formula	C H12 Co N5 O6
SMILES	[Co]1(OC(=O)O1)([NH3])([NH3])([NH3])[NH3].O=N(=O)[O-]
Title of publication	Tetraammine(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) nitrate: a powder X-ray diffraction study
Authors of publication	Le Bail, Armel
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	7
Pages of publication	i42 - i43
a	7.852 ± 0.0006 Å
b	6.7922 ± 0.0005 Å
c	17.5394 ± 0.0009 Å
α	90°
β	95.44 ± 0.003°
γ	90°
Cell volume	931.2 ± 0.11 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	2.64
Goodness-of-fit parameter for all reflections	2.85
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238278.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238278.cif
87539	2013-08-27	cif/ Adding structures of 2238278 via cif-deposit CGI script.	2238278.cif