Crystallography Open Database

Information card for entry 2311501

Preview

Coordinates	2311501.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate
Formula	C24 H25.5 N6 O9.5
Calculated formula	C24 H25.5 N6 O9.5
Title of publication	Crystal structure of 2,3,5,6-tetra-kis-(pyridin-2-yl)pyrazine hydrogen peroxide 4.75-solvate.
Authors of publication	Navasardyan, Mger A.; Bezzubov, Stanislav I.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 11
Pages of publication	1793 - 1796
a	19 ± 0.007 Å
b	7.382 ± 0.003 Å
c	20.212 ± 0.007 Å
α	90°
β	114.271 ± 0.005°
γ	90°
Cell volume	2584.3 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.1016
Residual factor for significantly intense reflections	0.0897
Weighted residual factors for significantly intense reflections	0.185
Weighted residual factors for all reflections included in the refinement	0.1908
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
245936 (current)	2019-12-25	cif/ Adding structures of 2311501 via cif-deposit CGI script.	2311501.cif