Crystallography Open Database

Information card for entry 7217283

Preview

Coordinates	7217283.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NBu4-Aletbat
Formula	C77 H126 Al Cl2 N O4
Calculated formula	C77 H126 Al Cl2 N O4
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	24.3711 ± 0.0015 Å
b	24.6465 ± 0.0015 Å
c	25.3492 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	15226.3 ± 1.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1351
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.2123
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7217283.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.	7217283.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.	7217283.cif