Crystallography Open Database

Information card for entry 2022161

2022160 << 2022161 >> 2022162

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Structure parameters

Chemical name	(<i>L</i>-Asparaginato-κ^2^<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride perchlorate
Formula	C11 H24 Cl2 Co N5 O6
Calculated formula	C11 H24 Cl2 Co N5 O6
SMILES	[Co]1234(OC(=O)C5=[N]1CCC5)[NH2]CC[NH]4CC[NH]3CC[NH2]2.[Cl-].Cl(=O)(=O)(=O)[O-]
Title of publication	Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains
Authors of publication	Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi
Journal of publication	Acta Crystallographica Section C
Year of publication	2020
Journal volume	76
Journal issue	7
a	13.6098 ± 0.0014 Å
b	11.1177 ± 0.0011 Å
c	13.6429 ± 0.0014 Å
α	90°
β	118.651 ± 0.002°
γ	90°
Cell volume	1811.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	6
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	0.0435
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
252977 (current)	2020-06-06	cif/ hkl/ Adding structures of 2022160, 2022161, 2022162 via cif-deposit CGI script.	2022161.cif 2022161.hkl