Crystallography Open Database

Information card for entry 7245835

Preview

Coordinates	7245835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Al Br3 N4
Calculated formula	C24 H24 Al Br3 N4
Title of publication	Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands
Authors of publication	Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y.
Journal of publication	CrystEngComm
Year of publication	2022
a	11.7677 ± 0.0005 Å
b	9.7423 ± 0.0007 Å
c	11.5702 ± 0.0006 Å
α	90°
β	107.931 ± 0.005°
γ	90°
Cell volume	1262.03 ± 0.13 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0903
Weighted residual factors for significantly intense reflections	0.2379
Weighted residual factors for all reflections included in the refinement	0.2432
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6888 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
279300 (current)	2022-11-16	cif/ Adding structures of 7245831, 7245832, 7245833, 7245834, 7245835, 7245836, 7245837, 7245838 via cif-deposit CGI script.	7245835.cif