Information card for entry 7208184

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 ų
• 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 Fobs: No