Crystallography Open Database

Information card for entry 2311161

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Structure parameters

Chemical name	Tetraammine(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) perchlorate
Formula	C H12 Cl Co N4 O7
Calculated formula	C H12 Cl Co N4 O7
SMILES	O=Cl(=O)(=O)[O-].[NH3][Co]1([NH3])(OC(=O)O1)([NH3])[NH3]
Title of publication	Tetraammine(carbonato-κ(2) O,O')cobalt(III) perchlorate.
Authors of publication	Mohan, Singaravelu Chandra; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Jothivenkatachalam, Kandasamy
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2013
Journal volume	69
Journal issue	Pt 8
Pages of publication	i45 - i46
a	17.8961 ± 0.0005 Å
b	8.0768 ± 0.0002 Å
c	6.8871 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	995.48 ± 0.05 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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
301809 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure.	2311161.cif
245633	2019-12-25	cif/ Adding structures of 2311161 via cif-deposit CGI script.	2311161.cif