Crystallography Open Database

Information card for entry 7217281

Preview

Coordinates	7217281.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Li(thf)4-Aletbat
Formula	C77 H122 Al Cl2 Li O8
Calculated formula	C77 H122 Al Cl2 Li O8
Title of publication	Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions
Authors of publication	Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.
Journal of publication	Green Chem.
Year of publication	2014
Journal volume	16
Journal issue	11
Pages of publication	4696
a	16.4252 ± 0.001 Å
b	16.4896 ± 0.001 Å
c	29.6929 ± 0.0018 Å
α	90°
β	102.666 ± 0.001°
γ	90°
Cell volume	7846.5 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1094
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2113
Weighted residual factors for all reflections included in the refinement	0.2375
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
180503 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72.	7217281.cif
126506	2014-11-06	cif/ Updating files of 7217280, 7217281, 7217282, 7217283, 7217284, 7217285, 7217286, 7217287, 7217288, 7217289, 7217290, 7217291 Original log message: Adding full bibliography for 7217280--7217291.cif.	7217281.cif
121051	2014-08-01	cif/ Adding structures of 7217280, 7217281, 7217282, 7217283, 7217284, 7217285, 7217286, 7217287, 7217288, 7217289, 7217290, 7217291 via cif-deposit CGI script.	7217281.cif