Crystallography Open Database

Information card for entry 1548073

Preview

Coordinates	1548073.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[In4(PHEN)6][Al(OC(CF3)3)4]4
Formula	C86 H39 Al2 F75 In2 N6 O8
Calculated formula	C86 H39 Al2 F75 In2 N6 O8
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	20.2872 ± 0.0005 Å
b	28.7711 ± 0.0007 Å
c	19.7149 ± 0.0006 Å
α	90°
β	117.303 ± 0.0013°
γ	90°
Cell volume	10225.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1347
Residual factor for significantly intense reflections	0.09
Weighted residual factors for significantly intense reflections	0.2232
Weighted residual factors for all reflections included in the refinement	0.2524
Goodness-of-fit parameter for all reflections included in the refinement	1.272
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
203256 (current)	2017-11-17	cif/ Adding structures of 1548073 via cif-deposit CGI script.	1548073.cif