Crystallography Open Database

Information card for entry 1548069

Preview

Coordinates	1548069.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ga(Bipy)3][Al(OC(CF3)3)4]
Formula	C68 H27 Al2 F73.75 Ga N6 O8
Calculated formula	C67.9992 H27 Al2 F73.7562 Ga N6 O7.9998
Title of publication	Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine
Authors of publication	Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	8288
a	25.1999 ± 0.0016 Å
b	15.4651 ± 0.0016 Å
c	24.792 ± 0.002 Å
α	90°
β	112.931 ± 0.007°
γ	90°
Cell volume	8898.4 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1021
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.2063
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203252 (current)	2017-11-17	cif/ Adding structures of 1548069 via cif-deposit CGI script.	1548069.cif