Information card for entry 2201122

Structure parameters

• Chemical name: 1,4-Butanediammonium chromate
• Formula: C4 H14 Cr N2 O4
• Calculated formula: C4 H14 Cr N2 O4
• SMILES: [Cr](=O)(=O)([O-])[O-].[NH3+]CCCC[NH3+]
• Title of publication: 1,4-Butanediammonium chromate
• Authors of publication: Chebbi, Hammouda; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m147 - m149
• a: 8.824 ± 0.001 Å
• b: 10.547 ± 0.001 Å
• c: 18.928 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1761.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes