Crystallography Open Database

Information card for entry 8000191

Preview

Coordinates	8000191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 B F3 N2
Calculated formula	C4 H6 B F3 N2
Title of publication	Alternative Route to Metal Halide Free Ionic Liquids
Authors of publication	Takao, Koichiro; Ikeda, Yasuhisa
Journal of publication	Chemistry Letters
Year of publication	2008
Journal volume	37
Journal issue	7
Pages of publication	682
a	11.538 ± 0.004 Å
b	6.635 ± 0.003 Å
c	8.259 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	632.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000191.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000191.cif
94325	2014-01-22	cif/ Adding structures of 8000191 via cif-deposit CGI script.	8000191.cif