Crystallography Open Database

Information card for entry 7240618

Preview

Coordinates	7240618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H80 Br12 Ga4 N16
Calculated formula	C96 H80 Br12 Ga4 N16
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	13.0928 ± 0.0007 Å
b	14.0601 ± 0.001 Å
c	14.3775 ± 0.0007 Å
α	95.542 ± 0.005°
β	96.105 ± 0.004°
γ	106.587 ± 0.005°
Cell volume	2499.7 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1927
Weighted residual factors for all reflections included in the refinement	0.2078
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7240618.cif