Crystallography Open Database

Information card for entry 7240617

Preview

Coordinates	7240617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Al4 Br12 N6
Calculated formula	C36 H30 Al4 Br12 N6
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	11.6526 ± 0.0003 Å
b	14.1736 ± 0.0003 Å
c	16.6431 ± 0.0004 Å
α	106.005 ± 0.002°
β	97.842 ± 0.002°
γ	91.731 ± 0.002°
Cell volume	2610.86 ± 0.11 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	0.0329
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7240617.cif