Crystallography Open Database

Information card for entry 1517034

Preview

Coordinates	1517034.cif

Structure parameters

Formula	C12 H8 N4 Ni
Calculated formula	C12 H8 N4 Ni
Title of publication	Cyano-bridged assemblies induced by positive ions: Hydrothermal syntheses, crystal and powder X-ray structures, and magnetic properties
Authors of publication	Bin Yuan; Min Min Yue; Ying Wang; Ju Yan Liu; Bin Ding; Xiao Jun Zhao
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	1 - 5
a	14.173 ± 0.002 Å
b	10.1535 ± 0.0013 Å
c	15.833 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2278.5 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176729 (current)	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.	1517034.cif
119943	2014-07-10	cif/ Adding structures of 1517034 via cif-deposit CGI script.	1517034.cif