Crystallography Open Database

Information card for entry 1567740

Preview

Coordinates	1567740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H90 Al8 F72 Ga2 O8
Calculated formula	C91.9966 H90 Al8 F71.9923 Ga2 O7.99915
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	44.352 ± 0.011 Å
b	18.147 ± 0.004 Å
c	30.839 ± 0.007 Å
α	90°
β	102.49 ± 0.009°
γ	90°
Cell volume	24234 ± 10 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0727
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	1567740.cif
278493	2022-10-08	cif/ Adding structures of 1567740, 1567741, 1567742, 1567743, 1567744, 1567745, 1567746 via cif-deposit CGI script.	1567740.cif