Information card for entry 2214759

Structure parameters

• Common name: Putrescinium dichloride
• Chemical name: Butane-1,4-diyldiammonium dichloride
• Formula: C4 H14 Cl2 N2
• Calculated formula: C4 H14 Cl2 N2
• SMILES: C(CCC[NH3+])[NH3+].[Cl-].[Cl-]
• Title of publication: Putrescinium dichloride: a redetermination at 100 K
• Authors of publication: Pospieszna-Markiewicz, Izabela; Radecka-Paryzek, Wanda; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3650 - o3650
• a: 4.5625 ± 0.0009 Å
• b: 8.3514 ± 0.0016 Å
• c: 10.696 ± 0.002 Å
• α: 90°
• β: 92.472 ± 0.016°
• γ: 90°
• Cell volume: 407.17 ± 0.14 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0579
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes