Crystallography Open Database

Information card for entry 1508477

Preview

Coordinates	1508477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Br5 F6 N2 P
Calculated formula	C8 H8 Br5 F6 N2 P
SMILES	Br/C=C(Br)/Cn1c(Br)c(Br)[n+](CC)c1Br.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Halogen Interactions in 2,4,5-Tribromoimidazolium Salts
Authors of publication	Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	3
Pages of publication	1017 - 1033
a	7.6729 ± 0.0004 Å
b	7.8858 ± 0.0005 Å
c	15.8383 ± 0.0007 Å
α	90.001 ± 0.004°
β	88.104 ± 0.004°
γ	62.169 ± 0.008°
Cell volume	846.88 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176729 (current)	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 1.	1508477.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508477.cif
69304	2012-12-08	cif/ Adding structures of 1508477 via cif-deposit CGI script.	1508477.cif