Crystallography Open Database

Information card for entry 1557028

Preview

Coordinates	1557028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H26 Al2 Ca F68 O7
Calculated formula	C52 H26 Al2 Ca F68 O7
Title of publication	Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.
Authors of publication	Schorpp, Marcel; Krossing, Ingo
Journal of publication	Chemical science
Year of publication	2020
Journal volume	11
Journal issue	8
Pages of publication	2068 - 2076
a	17.765 ± 0.006 Å
b	20.654 ± 0.007 Å
c	20.031 ± 0.008 Å
α	90°
β	93.018 ± 0.014°
γ	90°
Cell volume	7340 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.2002
Weighted residual factors for all reflections included in the refinement	0.219
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
250221 (current)	2020-04-05	cif/ Updating files of 1557027, 1557028, 1557029, 1557030, 1557031, 1557032, 1557033, 1557034 Original log message: Adding full bibliography for 1557027--1557034.cif.	1557028.cif
248874	2020-03-05	cif/ Updating files of 1557027, 1557028, 1557029, 1557030, 1557031, 1557032, 1557033, 1557034 Original log message: Adding full bibliography for 1557027--1557034.cif.	1557028.cif
246795	2020-01-14	cif/ Adding structures of 1557027, 1557028, 1557029, 1557030, 1557031, 1557032, 1557033, 1557034 via cif-deposit CGI script.	1557028.cif