Information card for entry 2011241

Structure parameters

• Chemical name: 2,2-dimethyl-1,3-propanediammonium chromate
• Formula: C5 H16 Cr N2 O4
• Calculated formula: C5 H16 Cr N2 O4
• SMILES: [Cr]([O-])([O-])(=O)=O.[NH3+]CC(C[NH3+])(C)C
• Title of publication: Chromate de 2,2-diméthylpropylènediammonium
• Authors of publication: Chebbi, Hammouda; Hajem, Amen Allah; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e333 - e334
• a: 9.082 ± 0.001 Å
• b: 9.789 ± 0.002 Å
• c: 5.741 ± 0.008 Å
• α: 104.92 ± 0.01°
• β: 93.2 ± 0.01°
• γ: 109.06 ± 0.01°
• Cell volume: 460.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes