Crystallography Open Database

Information card for entry 7228574

Preview

Coordinates	7228574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H18.76 B Cl0 F24 Na O2.38
Calculated formula	C32 H18.76 B F24 Na O2.38
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	13.5537 ± 0.0007 Å
b	13.5537 ± 0.0007 Å
c	9.785 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1797.53 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	85
Hermann-Mauguin space group symbol	P 4/n
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1726
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7228574.cif