Crystallography Open Database

Information card for entry 4347812

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Coordinates	4347812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N6 Ni
Calculated formula	C24 H20 N6 Ni
Title of publication	Deprotonation Induced Ligand Oxidation in a Ni(II) Complex of a Redox Noninnocent N(1)-(2-Aminophenyl)benzene-1,2-diamine and Its Use in Catalytic Alcohol Oxidation.
Authors of publication	Sikari, Rina; Sinha, Suman; Jash, Upasona; Das, Siuli; Brandão, Paula; de Bruin, Bas; Paul, Nanda D.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	12
Pages of publication	6114 - 6123
a	8.8868 ± 0.0007 Å
b	9.1899 ± 0.0006 Å
c	13.2495 ± 0.0011 Å
α	90°
β	98.474 ± 0.003°
γ	90°
Cell volume	1070.26 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0549
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
232516 (current)	2019-11-23	cif/ Adding structures of 4347812 via cif-deposit CGI script.	4347812.cif