Information card for entry 2239471

Structure parameters

• Chemical name: Propane-1,2-diammonium chromate(VI)
• Formula: C3 H12 Cr N2 O4
• Calculated formula: C3 H12 Cr N2 O4
• SMILES: [Cr](=O)(=O)([O-])[O-].[NH3+]CC([NH3+])C
• Title of publication: Propane-1,2-diammonium chromate(VI)
• Authors of publication: Trabelsi, Sonia; Essid, Manel; Roisnel, Thierry; Rzaigui, Mohamed; Marouani, Houda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m84 - m85
• a: 5.6462 ± 0.0002 Å
• b: 15.8373 ± 0.0005 Å
• c: 8.4442 ± 0.0003 Å
• α: 90°
• β: 106.779 ± 0.001°
• γ: 90°
• Cell volume: 722.94 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0277
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes