Crystallography Open Database

Information card for entry 7250571

Preview

Coordinates	7250571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15 Be2 F7 N6
Calculated formula	C9 H15 Be2 F7 N6
Title of publication	(C3H5N2)3[Be2F7]: the first imidazolium fluoroberyllate with a non-centrosymmetric structure based on linear tetrahedral [Be2F7]3− anions
Authors of publication	Charkin, Dmitri O.; Ivanov, Semen A.; Kireev, Vadim E.; Gosteva, Alevtina N.; Kompanchenko, Alena A.; Banaru, Alexander M.; Stefanovich, Sergey Yu.; Tananaev, Ivan G.; Aksenov, Sergey M.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	30
Pages of publication	5184 - 5192
a	9.5908 ± 0.0004 Å
b	9.5908 ± 0.0004 Å
c	15.7681 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	1256.09 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0227
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.022
Weighted residual factors for all reflections included in the refinement	0.0223
Goodness-of-fit parameter for significantly intense reflections	1.31
Goodness-of-fit parameter for all reflections included in the refinement	1.28
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301568 (current)	2025-08-06	cif/ Updating files of 7250571 Original log message: Adding full bibliography for 7250571.cif.	7250571.cif
300147	2025-06-21	cif/ Adding structures of 7250571 via cif-deposit CGI script.	7250571.cif