Information card for entry 2016790

Structure parameters

• Common name: Hexamethylenediammonium dihydrobromide
• Chemical name: Hexane-1,6-diammonium dibromide
• Formula: C6 H18 Br2 N2
• Calculated formula: C6 H18 Br2 N2
• SMILES: C(CCCCC[NH3+])[NH3+].[Br-].[Br-]
• Title of publication: Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine
• Authors of publication: Blerk, Charmaine van; Kruger, Gert J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o537 - o542
• a: 4.7044 ± 0.0001 Å
• b: 14.4462 ± 0.0003 Å
• c: 16.2582 ± 0.0004 Å
• α: 90°
• β: 90.115 ± 0.001°
• γ: 90°
• Cell volume: 1104.92 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes