Crystallography Open Database

Information card for entry 1519745

1519744 << 1519745 >> 1519746

Preview

Coordinates	1519745.cif

Structure parameters

Formula	C12 H17 B F4 N2
Calculated formula	C12 H17 B F4 N2
Title of publication	C12H17BF4N2
Authors of publication	Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2004
Pages of publication	964
a	10.5701 ± 0.0003 Å
b	11.0531 ± 0.0003 Å
c	11.7699 ± 0.0003 Å
α	88.065 ± 0.002°
β	89.074 ± 0.002°
γ	88.757 ± 0.002°
Cell volume	1373.83 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519745.cif
136964	2015-05-19	cif/ Adding structures of 1519745 via cif-deposit CGI script.	1519745.cif