Crystallography Open Database

Information card for entry 8102544

Preview

Coordinates	8102544.cif

Structure parameters

Chemical name	bis(1-Pyridin-2-yl-ethylidene)-p-tolyl-amine)- two thiocyanation nickel
Formula	C30 H28 N6 Ni S2
Calculated formula	C30 H28 N6 Ni S2
Title of publication	Crystal structure of bis(1-pyridin-2-yl-ethylidene)-p-tolylamine)nickel dithiocyanat, [Ni(C14H14N2)2](NCS)2
Authors of publication	Ya-Ning Guo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	633
a	9.9405 ± 0.0008 Å
b	11.6406 ± 0.0012 Å
c	14.648 ± 0.0016 Å
α	73.846 ± 0.001°
β	75.172 ± 0.001°
γ	77.102 ± 0.002°
Cell volume	1552.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176728 (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 8.	8102544.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102544.cif
13283	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102544 via cif-deposit CGI script.	8102544.cif