Information card for entry 2235738

Structure parameters

• Chemical name: Propane-1,3-diammonium dichromate(VI)
• Formula: C3 H12 Cr2 N2 O7
• Calculated formula: C3 H12 Cr2 N2 O7
• SMILES: C(CC[NH3+])[NH3+].[Cr](O[Cr](=O)(=O)[O-])(=O)(=O)[O-]
• Title of publication: Propane-1,3-diammonium dichromate(VI)
• Authors of publication: Trabelsi, Sonia; Marouani, Houda; Al-Deyab, Salem S.; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1056
• a: 8.818 ± 0.002 Å
• b: 13.764 ± 0.002 Å
• c: 7.918 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 961 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes