Crystallography Open Database

Information card for entry 7036617

Preview

Coordinates	7036617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.4 H79.8 Cl4.8 F12 N6 Ni O3 Sb2
Calculated formula	C56.4 H79.8 Cl4.8 F12 N6 Ni O3 Sb2
Title of publication	X-ray structure of a Ni(ii)-tri-phenoxyl radical complex.
Authors of publication	Benisvy, Laurent; Zats, Galina M.; Fleker, Ohad; Yufit, Dmitry S.; Orio, Maylis; Romanenko, Galina; Ovcharenko, Victor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	41
Pages of publication	17924 - 17926
a	15.0749 ± 0.0006 Å
b	15.0749 ± 0.0006 Å
c	54.398 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	10705.9 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7036617.cif
171194	2015-12-09	cif/ Updating files of 7036616, 7036617 Original log message: Adding full bibliography for 7036616--7036617.cif.	7036617.cif
158246	2015-09-23	cif/ Adding structures of 7036616, 7036617 via cif-deposit CGI script.	7036617.cif