Crystallography Open Database

Information card for entry 7240616

Preview

Coordinates	7240616.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	alpha-polymorph
Formula	C12 H10 Br6 Ga2 N2
Calculated formula	C12 H10 Br6 Ga2 N2
Title of publication	Structural Variety of Aluminium and Gallium Coordination Polymers Based on Bis-pyridylethylene: From Molecular Complexes to Ionic Networks
Authors of publication	Gugin, Nikita; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Davydova, Elena I.; Timoshkin, Alexey Y.
Journal of publication	CrystEngComm
Year of publication	2020
a	6.51032 ± 0.00016 Å
b	12.2531 ± 0.0003 Å
c	12.4379 ± 0.0003 Å
α	90°
β	90.552 ± 0.002°
γ	90°
Cell volume	992.15 ± 0.04 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.0441
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252629 (current)	2020-06-04	cif/ Adding structures of 7240610, 7240611, 7240612, 7240613, 7240614, 7240615, 7240616, 7240617, 7240618, 7240619, 7240620, 7240621, 7240622 via cif-deposit CGI script.	7240616.cif