Crystallography Open Database

Information card for entry 1518929

Preview

Coordinates	1518929.cif

Structure parameters

Formula	C38 H56 F2 N2 Ni2 O4 P2 S2
Calculated formula	C38 H56 F2 N2 Ni2 O4 P2 S2
Title of publication	Bimetallic nickel complexes supported by 2,5-bis(phosphine)-1,4-hydroquinonate ligands. Structural, electrochemical and theoretical investigations
Authors of publication	Louis R. Pignotti; Rudy L. Luck; Nihal Deligonul; John D. Protasiewicz; Kevin E. Johnson; Lillian P. Nguyen; Eugenijus Urnezius
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	275 - 285
a	11.663 ± 0.003 Å
b	11.84 ± 0.002 Å
c	17.266 ± 0.004 Å
α	75.76 ± 0.02°
β	82.07 ± 0.02°
γ	68.31 ± 0.02°
Cell volume	2144.4 ± 0.9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
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
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.	1518929.cif
134516	2015-03-29	cif/ Adding structures of 1518929 via cif-deposit CGI script.	1518929.cif