Crystallography Open Database

Information card for entry 7208184

7208183 << 7208184 >> 7208185

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Structure parameters

Formula	C16 H32 Br2 N4 O2
Calculated formula	C16 H32 Br2 N4 O2
SMILES	c1n(cc[n+]1CCCCCCCC[n+]1cn(cc1)C)C.[Br-].O.[Br-].O
Title of publication	Supramolecular architectures of symmetrical dicationic ionic liquid based systems
Authors of publication	Tadesse, Haregewine; Blake, Alexander J.; Champness, Neil R.; Warren, John E.; Rizkallah, Pierre J.; Licence, Peter
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	15
Pages of publication	4886
a	9.253 ± 0.003 Å
b	14.658 ± 0.004 Å
c	16.195 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2196.5 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.0502
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
301863 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure.	7208184.cif
180412	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/81.	7208184.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208184.cif
64214	2012-08-11	cif/ Adding structures of 7208184, 7208185, 7208186, 7208187 via cif-deposit CGI script.	7208184.cif