Crystallography Open Database

Information card for entry 4349522

Preview

Coordinates	4349522.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[RR-diethyl-(2,2-dimethyl-1-(tert-butyl-(1-(pyridine-2-yl)ethoxy)amino) propyl)phosphonate-N,O][SS-diethyl-(2,2-dimethyl-1-(tert-butyl- (1-(pyridine-2-yl)ethoxy)amino)propyl)phosphonate-N,O]tris[bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato)copper]
Formula	C70 H80 Cu3 F36 N4 O20 P2
Calculated formula	C70 H80 Cu3 F36 N4 O20 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	9.389 ± 0.0006 Å
b	17.4016 ± 0.0011 Å
c	19.6691 ± 0.0012 Å
α	63.746 ± 0.002°
β	77.272 ± 0.003°
γ	87.428 ± 0.003°
Cell volume	2806.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.095
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	4349522.cif