Crystallography Open Database

Information card for entry 1548072

Preview

Coordinates	1548072.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[In4(BIPY)6][Al(OC(CF3)3)4]4
Formula	C124 H48 Al4 F144 In4 N12 O16
Calculated formula	C124 H48 Al4 F144 In4 N12 O16
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	34.744 ± 0.005 Å
b	34.792 ± 0.005 Å
c	37.21 ± 0.005 Å
α	106.127 ± 0.004°
β	101.609 ± 0.004°
γ	118.938 ± 0.003°
Cell volume	34671 ± 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	0.155
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.2157
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
203255 (current)	2017-11-17	cif/ Adding structures of 1548072 via cif-deposit CGI script.	1548072.cif