Crystallography Open Database

Information card for entry 4334220

Preview

Coordinates	4334220.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,2-bipyridine TEMPO nickel(II) hexafluorophosphate
Formula	C19.5 H27 Cl F6 N3 Ni O P
Calculated formula	C19.5 H27 Cl F6 N3 Ni O P
Title of publication	Nitric Oxide Release from a Nickel Nitrosyl Complex Induced by One-Electron Oxidation
Authors of publication	Ashley M. Wright; Homaira T. Zaman; Guang Wu; Trevor W. Hayton
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3207 - 3216
a	21.24 ± 0.007 Å
b	9.737 ± 0.003 Å
c	22.745 ± 0.008 Å
α	90°
β	90.718 ± 0.006°
γ	90°
Cell volume	4704 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4334220.cif
100035	2014-02-04	cif/ Adding structures of 4334220 via cif-deposit CGI script.	4334220.cif