Crystallography Open Database

Information card for entry 7240613

Preview

Coordinates	7240613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H70 Cl12 Ga4 N14
Calculated formula	C84 H70 Cl12 Ga4 N14
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	11.9814 ± 0.0004 Å
b	28.3968 ± 0.0008 Å
c	26.3183 ± 0.0008 Å
α	90°
β	100.16 ± 0.003°
γ	90°
Cell volume	8814 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	0.849
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
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.	7240613.cif