Crystallography Open Database

Information card for entry 1570812

Preview

Coordinates	1570812.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetramethylammonium (henicosafluoridotetrabromate(V))-bromine pentafluoride (1/1)
Formula	C4 H12 Br5 F26 N
Calculated formula	C4 H11.9997 Br5 F25.999 N
Title of publication	[Br<sub>4</sub>F<sub>21</sub>]<sup>-</sup> - a unique molecular tetrahedral interhalogen ion containing a μ<sub>4</sub>-bridging fluorine atom surrounded by BrF<sub>5</sub> molecules.
Authors of publication	Möbs, Martin; Graubner, Tim; Karttunen, Antti J.; Kraus, Florian
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	9
Pages of publication	3273 - 3278
a	13.389 ± 0.004 Å
b	13.389 ± 0.004 Å
c	13.389 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2400.2 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
290135 (current)	2024-03-04	cif/ Updating files of 1570812 Original log message: Adding full bibliography for 1570812.cif.	1570812.cif
289175	2024-01-21	cif/ Adding structures of 1570812 via cif-deposit CGI script.	1570812.cif