Crystallography Open Database

Information card for entry 4344594

Preview

Coordinates	4344594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H90 Cl6 F12 N8 Ni2 Sb2
Calculated formula	C69 H90 Cl6 F12 N8 Ni2 Sb2
Title of publication	Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands.
Authors of publication	Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	2
Pages of publication	649 - 665
a	9.4927 ± 0.0019 Å
b	12.896 ± 0.003 Å
c	16.95 ± 0.003 Å
α	80.96 ± 0.03°
β	87.72 ± 0.03°
γ	71.86 ± 0.03°
Cell volume	1947.3 ± 0.8 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
175517 (current)	2016-02-04	cif/ Adding structures of 4344587, 4344588, 4344589, 4344590, 4344591, 4344592, 4344593, 4344594, 4344595, 4344596 via cif-deposit CGI script.	4344594.cif