Crystallography Open Database

Information card for entry 7233389

Preview

Coordinates	7233389.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	cyclo-bis-(?-2-(1-((tert-Butyl(1-(diethoxyphosphoryl)- 2,2-dimethylpropyl)amino)oxy)ethyl)pyrazine-1,4-dioxide-kON-O:kOP=O- tetrakis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-k2O,O')dizinc(II)
Formula	C58 H76 F24 N6 O20 P2 Zn2
Calculated formula	C58 H76 F24 N6 O20 P2 Zn2
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	15.7902 ± 0.0006 Å
b	11.3758 ± 0.0004 Å
c	23.2214 ± 0.0011 Å
α	90°
β	105.424 ± 0.002°
γ	90°
Cell volume	4020.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0612
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1366
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
217573 (current)	2019-08-17	cif/ Adding structures of 7233388, 7233389, 7233390, 7233391, 7233392, 7233393 via cif-deposit CGI script.	7233389.cif