Crystallography Open Database

Information card for entry 7215991

Preview

Coordinates	7215991.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	guanidinium tetrafluoroborate
Chemical name	guanidinium tetrafluoroborate
Formula	C H6 B F4 N3
Calculated formula	C H6 B F4 N3
SMILES	C(=[NH2+])(N)N.[B](F)(F)(F)[F-]
Title of publication	Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics
Authors of publication	Szafrański, Marek
Journal of publication	CrystEngComm
Year of publication	2014
a	7.4011 ± 0.0005 Å
b	7.4011 ± 0.0005 Å
c	8.3856 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	397.79 ± 0.08 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Ambient diffracton pressure	780000 kPa
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0216
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0516
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
180490 (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 7/21/59.	7215991.cif
171772	2015-12-31	cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries.	7215991.cif
113962	2014-05-19	cif/ Adding structures of 7215988, 7215989, 7215990, 7215991, 7215992, 7215993, 7215994, 7215995, 7215996, 7215997, 7215998, 7215999, 7216000 via cif-deposit CGI script.	7215991.cif