Information card for entry 1550896

Structure parameters

• Chemical name: Propane-1,3-diammonium molybdate
• Formula: C3 H12 Mo N2 O4
• Calculated formula: C3 H12 Mo N2 O4
• SMILES: [NH3+]CCC[NH3+].[Mo](=O)(=O)([O-])[O-]
• Title of publication: Propane-1,3-diammonium molybdate
• Authors of publication: Wane, Alioune; Kama, Antoine Blaise; Diop, Mouhamadou Birame; Diop, Libasse; Plasseraud, Laurent; Cattey, Hélène
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• a: 6.4849 ± 0.0003 Å
• b: 14.7539 ± 0.0007 Å
• c: 8.3224 ± 0.0004 Å
• α: 90°
• β: 97.295 ± 0.0013°
• γ: 90°
• Cell volume: 789.82 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0164
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes