Crystallography Open Database

Information card for entry 7240621

Preview

Coordinates	7240621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Al4 Br12 N12
Calculated formula	C72 H60 Al4 Br12 N12
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	11.3604 ± 0.0004 Å
b	13.2572 ± 0.0004 Å
c	14.17 ± 0.0004 Å
α	82.947 ± 0.002°
β	89.402 ± 0.002°
γ	73.162 ± 0.003°
Cell volume	2026.44 ± 0.12 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0565
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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.	7240621.cif