Information card for entry 2211754

Structure parameters

• Common name: Putrescine dibromide
• Chemical name: Butane-1,4-diammonium dibromide
• Formula: C4 H14 Br2 N2
• Calculated formula: C4 H14 Br2 N2
• SMILES: C(CCC[NH3+])[NH3+].[Br-].[Br-]
• Title of publication: Butane-1,4-diammonium dibromide
• Authors of publication: van Blerk, Charmaine; Kruger, Gert J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o342 - o344
• a: 4.7107 ± 0.0009 Å
• b: 8.5491 ± 0.0015 Å
• c: 11.229 ± 0.002 Å
• α: 90°
• β: 93.037 ± 0.004°
• γ: 90°
• Cell volume: 451.58 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes