Crystallography Open Database

Information card for entry 1518926

Preview

Coordinates	1518926.cif

Structure parameters

Formula	C28 H38 F8 Ni2 O2 P3
Calculated formula	C28 H38 F8 Ni2 O2 P3
SMILES	[Ni]12345([P](c6c(F)c7O[Ni]89%10%11([P](c7c(F)c6O1)(C(C)C)C(C)C)[cH]1[cH]%11[cH]%10[cH]9[cH]81)(C(C)C)C(C)C)[cH]1[cH]2[cH]5[cH]3[cH]41.[P](F)(F)(F)(F)(F)[F-]
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	16.448 ± 0.004 Å
b	14.371 ± 0.004 Å
c	14.854 ± 0.005 Å
α	90°
β	111.96 ± 0.02°
γ	90°
Cell volume	3256.4 ± 1.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 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.	1518926.cif
134513	2015-03-29	cif/ Adding structures of 1518926 via cif-deposit CGI script.	1518926.cif