Crystallography Open Database

Information card for entry 7245834

Preview

Coordinates	7245834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Al2 Cl6 N2
Calculated formula	C12 H12 Al2 Cl6 N2
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	6.47388 ± 0.00017 Å
b	10.5857 ± 0.0002 Å
c	14.3038 ± 0.0004 Å
α	90°
β	100.461 ± 0.002°
γ	90°
Cell volume	963.95 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation probe	x-ray
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
279300 (current)	2022-11-16	cif/ Adding structures of 7245831, 7245832, 7245833, 7245834, 7245835, 7245836, 7245837, 7245838 via cif-deposit CGI script.	7245834.cif