Crystallography Open Database

Information card for entry 7112782

Preview

Coordinates	7112782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 F12 N12 Ni O2 P2
Calculated formula	C30 H30 F12 N12 Ni O2 P2
Title of publication	Strong ferromagnetic metal-ligand exchange in a nickel bis(3,5-dipyridylverdazyl) complex.
Authors of publication	Brook, David J. R.; Richardson, Cardius J.; Haller, Benjamin C.; Hundley, Michael; Yee, Gordon T.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	35
Pages of publication	6590 - 6592
a	15.8 ± 0.006 Å
b	15.8 ± 0.006 Å
c	15.227 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3801 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
180241 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112782.cif
112088	2014-04-29	cif/ Adding structures of 7112782 via cif-deposit CGI script.	7112782.cif