Crystallography Open Database

Information card for entry 7210556

Preview

Coordinates	7210556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 Br F4 N3
Calculated formula	C15 H10 Br F4 N3
SMILES	[Br-].Fc1c(n2c[n+](cc2)Cc2ccccc2)c(F)c(F)nc1F
Title of publication	On the importance of π‒π stacking and cation‒anion interactions in the construction of non-centrosymmetric networks of bromide salts of imidazolium cations bearing arene and polyfluoroarene rings
Authors of publication	Saunders, Graham C.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	6
Pages of publication	1801
a	12.7109 ± 0.0003 Å
b	9.5071 ± 0.0003 Å
c	12.7444 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1540.08 ± 0.08 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
180436 (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 7/21/05.	7210556.cif
88434	2013-09-12	cif/ Adding structures of 7210556 via cif-deposit CGI script.	7210556.cif