Crystallography Open Database

Information card for entry 1548071

Preview

Coordinates	1548071.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[In3(BIPY)5][Al(OC(CF3)3)4]3
Formula	C422 H184 Al12 F437 In12 N40 O48
Calculated formula	C422 H184 Al12 F437 In12 N40 O48
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	16.2891 ± 0.0006 Å
b	25.6709 ± 0.0009 Å
c	33.2531 ± 0.0012 Å
α	89.47 ± 0.002°
β	87.358 ± 0.002°
γ	81.522 ± 0.002°
Cell volume	13738.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1043
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1709
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
203254 (current)	2017-11-17	cif/ Adding structures of 1548071 via cif-deposit CGI script.	1548071.cif