Crystallography Open Database

Information card for entry 1567741

Preview

Coordinates	1567741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H66 Al4 F36 Ga N3 O4
Calculated formula	C54.996 H66 Al4 F35.991 Ga N3 O3.999
Title of publication	From mixed group 13 cations [M(AlCp*)3]+ (M = Ga/In/Tl) to an Al4+ cluster
Authors of publication	Dabringhaus, Philipp; Krossing, Ingo
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	41
Pages of publication	12078 - 12086
a	17.181 ± 0.007 Å
b	21.399 ± 0.006 Å
c	21.691 ± 0.005 Å
α	117.464 ± 0.012°
β	90.245 ± 0.014°
γ	90.863 ± 0.016°
Cell volume	7075 ± 4 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	0.1249
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.2022
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
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
278966 (current)	2022-11-07	cif/ Updating files of 1567740, 1567741, 1567742, 1567743, 1567744, 1567745, 1567746 Original log message: Adding full bibliography for 1567740--1567746.cif.	1567741.cif
278493	2022-10-08	cif/ Adding structures of 1567740, 1567741, 1567742, 1567743, 1567744, 1567745, 1567746 via cif-deposit CGI script.	1567741.cif