Crystallography Open Database

Information card for entry 4344591

Preview

Coordinates	4344591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.67 H103.96 Cl3.67 F12 N8 Ni2 O2.17 Sb2
Calculated formula	C71.66 H103.948 Cl3.66 F12 N8 Ni2 O2.17 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	42.949 ± 0.009 Å
b	16.025 ± 0.003 Å
c	26.266 ± 0.005 Å
α	90°
β	102.82 ± 0.03°
γ	90°
Cell volume	17627 ± 6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.1308
Residual factor for significantly intense reflections	0.082
Weighted residual factors for significantly intense reflections	0.2196
Weighted residual factors for all reflections included in the refinement	0.2685
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	4344591.cif