Crystallography Open Database

Information card for entry 7217280

Preview

Coordinates	7217280.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PPh4-Aletbat
Formula	C86.5 H113 Al Cl5 O4 P
Calculated formula	C86.5 H113 Al Cl5 O4 P
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	27.1582 ± 0.0014 Å
b	28.5362 ± 0.0013 Å
c	24.0085 ± 0.0011 Å
α	90°
β	113.869 ± 0.001°
γ	90°
Cell volume	17015 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1435
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.2228
Weighted residual factors for all reflections included in the refinement	0.2696
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7217280.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.	7217280.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.	7217280.cif