Crystallography Open Database

Information card for entry 4349520

Preview

Coordinates	4349520.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[RS-Diethyl-(2,2-dimethyl-1-(tert-butyl-(1-(pyridine-4-yl)ethoxy)amino) propyl)phosphonate-N,O][SR-diethyl-(2,2-dimethyl-1-(tert-butyl-(1- (pyridine-4-yl)ethoxy)amino)propyl)phosphonate-N,O]bis[bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato)copper]
Formula	C60 H76 Cu2 F24 N4 O16 P2
Calculated formula	C60 H76 Cu2 F24 N4 O16 P2
Title of publication	C‒ON bond homolysis of alkoxyamines triggered by paramagnetic copper(ii) salts
Authors of publication	Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Brémond, Paul; Edeleva, Mariya; Marque, Sylvain R. A.; Parkhomenko, Dmitriy; Tretyakov, Evgeny; Zhivetyeva, Svetlana
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	11
Pages of publication	1464
a	13.1619 ± 0.0008 Å
b	16.2198 ± 0.0012 Å
c	18.9453 ± 0.0014 Å
α	90°
β	97.214 ± 0.003°
γ	90°
Cell volume	4012.5 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
234851 (current)	2019-11-23	cif/ Adding structures of 4349520, 4349521, 4349522, 4349523 via cif-deposit CGI script.	4349520.cif