Crystallography Open Database

Information card for entry 3500027

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Structure parameters

Chemical name	mer-Tri(ammine)tri(nitrito-N)cobalt(III)
Formula	Co H9 N6 O6
Calculated formula	Co H9 N6 O6
SMILES	[Co](N(=O)=O)(N(=O)=O)(N(=O)=O)([NH3])([NH3])[NH3]
Title of publication	Redetermination of mer-[Co(NH3)3(NO2)3]
Authors of publication	Miguel Quirós
Journal of publication	Personal communication to COD
Year of publication	2016
a	6.8358 ± 0.0003 Å
b	10.0116 ± 0.0006 Å
c	11.6421 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	796.75 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301810 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 3/ Each referenced PubChem compound corresponds to the full crystal structure.	3500027.cif 3500027.hkl
181860	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 7.	3500027.cif 3500027.hkl
176658	2016-02-17	cif/ hkl/ Adding structures of 3500027 via cif-deposit CGI script.	3500027.cif 3500027.hkl