Crystallography Open Database

Information card for entry 1512477

Preview

Coordinates	1512477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 N3 Na Ni O5
Calculated formula	C12 H18 N3 Na Ni O5
SMILES	CC(O[Ni]234)=CC(C)=[N]2CC[N]3=C(C)C=C(C)O4.[Na+].[O-]N(=O)=O
Title of publication	Efficient synthesis and characterization of the low dimensional heteronuclear complexes with a N2O2-donor Schiff base ligand
Authors of publication	Guo-Bi Li; Xu-Jia Hong; Zhi-Gang Gu; Zhi-Peng Zheng; Yang-Yang Wu; Hong-Yang Jia; Jie Liu; Yue-Peng Cai
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	177 - 183
a	8.5941 ± 0.0007 Å
b	18.1783 ± 0.0014 Å
c	20.8102 ± 0.0014 Å
α	84.074 ± 0.005°
β	88.665 ± 0.005°
γ	76.688 ± 0.006°
Cell volume	3146.8 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1791
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1468
Weighted residual factors for all reflections included in the refinement	0.196
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
282761 (current)	2023-04-20	cif/1 Fixing some Z values and formulae	1512477.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512477.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512477.cif
89406	2013-10-24	cif/ Adding structures of 1512477 via cif-deposit CGI script.	1512477.cif