Crystallography Open Database

Information card for entry 1543957

Preview

Coordinates	1543957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cl2 N6 Ni O2
Calculated formula	C20 H18 Cl2 N6 Ni O2
SMILES	[Ni]12(Cl)(Cl)([n]3c(c[nH]c3)C=[N]1c1ccccc1O)[n]1c[nH]cc1C=[N]2c1ccccc1O
Title of publication	Two novel analogous Ni(II) and Cd(II) complexes of an imidazole based Schiff base obtained from imidazole-4-carbaldehyde and 2-aminophenol
Authors of publication	Serkan Demir; Turan K. Yazicilar; Murat Tas
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	398 - 406
a	7.9712 ± 0.0005 Å
b	12.9977 ± 0.001 Å
c	10.537 ± 0.0007 Å
α	90°
β	96.647 ± 0.006°
γ	90°
Cell volume	1084.37 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0557
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
215051 (current)	2019-05-13	cif/1 Fixing Z values and formulae	1543957.cif
211137	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543957.cif
185960	2016-08-23	cif/ Adding structures of 1543957 via cif-deposit CGI script.	1543957.cif