Crystallography Open Database

Information card for entry 1567745

Preview

Coordinates	1567745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.13 H46.42 Al4 F36.71 O4 Tl
Calculated formula	C48.1285 H46.4163 Al4 F36.7172 O4.001 Tl
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	22.345 ± 0.017 Å
b	26.95 ± 0.03 Å
c	29.77 ± 0.02 Å
α	88.88 ± 0.03°
β	70.81 ± 0.05°
γ	70.94 ± 0.05°
Cell volume	15925 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	1567745.cif
278493	2022-10-08	cif/ Adding structures of 1567740, 1567741, 1567742, 1567743, 1567744, 1567745, 1567746 via cif-deposit CGI script.	1567745.cif