Crystallography Open Database

Information card for entry 7233393

Preview

Coordinates	7233393.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis-?-Diethyl-(1-(tert-butyl(1-(pyrazin-2-yl)ethoxy)amino)-2,2- dimethylpropyl)phosphonate-1k2N1Pyr,OP=O:2k2N1'Pyr,O'P=O:3k2N4Pyr,N4'Pyr- hexakis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato- 2O,O )trizinc(II)
Formula	C68 H78 F36 N6 O20 P2 Zn3
Calculated formula	C68 H78 F36 N6 O20 P2 Zn3
Title of publication	How intramolecular coordination bonding (ICB) controls the homolysis of the C‒ON bond in alkoxyamines
Authors of publication	Audran, Gérard; Bagryanskaya, Elena; Bagryanskaya, Irina; Edeleva, Mariya; Joly, Jean-Patrick; Marque, Sylvain R. A.; Iurchenkova, Anna; Kaletina, Polina; Cherkasov, Sergey; Hai, Tung To; Tretyakov, Evgeny; Zhivetyeva, Svetlana
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	44
Pages of publication	25776
a	15.4251 ± 0.0006 Å
b	17.7197 ± 0.0007 Å
c	19.8153 ± 0.0007 Å
α	86.523 ± 0.002°
β	70.362 ± 0.001°
γ	67.35 ± 0.001°
Cell volume	4692.9 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.074
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1701
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
217573 (current)	2019-08-17	cif/ Adding structures of 7233388, 7233389, 7233390, 7233391, 7233392, 7233393 via cif-deposit CGI script.	7233393.cif