Crystallography Open Database

Information card for entry 7228575

Preview

Coordinates	7228575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H14 B Cl2 Cs F24
Calculated formula	C33 H14 B Cl2 Cs F24
Title of publication	Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts
Authors of publication	Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	52
Pages of publication	32833
a	13.7562 ± 0.0004 Å
b	13.7562 ± 0.0004 Å
c	19.0303 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3601.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
198199 (current)	2017-06-28	cif/ Adding structures of 7228564, 7228565, 7228566, 7228567, 7228568, 7228569, 7228570, 7228571, 7228572, 7228573, 7228574, 7228575 via cif-deposit CGI script.	7228575.cif