Crystallography Open Database

Information card for entry 7036616

Preview

Coordinates	7036616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 N4 Ni O2
Calculated formula	C36 H50 N4 Ni O2
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	17.361 ± 0.0006 Å
b	10.3225 ± 0.0004 Å
c	9.2567 ± 0.0003 Å
α	90°
β	92.41 ± 0.01°
γ	90°
Cell volume	1657.42 ± 0.1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MOKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171194 (current)	2015-12-09	cif/ Updating files of 7036616, 7036617 Original log message: Adding full bibliography for 7036616--7036617.cif.	7036616.cif
158246	2015-09-23	cif/ Adding structures of 7036616, 7036617 via cif-deposit CGI script.	7036616.cif