Crystallography Open Database

Information card for entry 2020053

2020052 << 2020053 >> 2020054

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Structure parameters

Chemical name	Bis(nitrito-κ<i>N</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride
Formula	C6 H18 Cl Co N6 O4
Calculated formula	C6 H18 Cl Co N6 O4
SMILES	[Co]123([N](CC[NH2]1)(CC[NH2]2)CC[NH2]3)(N(=O)=O)N(=O)=O.[Cl-]
Title of publication	Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride
Authors of publication	Guzei, Ilia A.; Arderne, Charmaine
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	8
a	8.856 ± 0.004 Å
b	11.95 ± 0.005 Å
c	11.75 ± 0.004 Å
α	90°
β	90 ± 0.013°
γ	90°
Cell volume	1243.5 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	A 2 1 1
Hall space group symbol	A 2y
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
301801 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure.	2020053.cif 2020053.hkl
181870	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00	2020053.cif 2020053.hkl
152106	2015-07-16	cif/ hkl/ Adding structures of 2020051, 2020052, 2020053 via cif-deposit CGI script.	2020053.cif 2020053.hkl