Information card for entry 2241970

Structure parameters

• Chemical name: <i>trans</i>-Cyclohexane-1,2-diammonium chromate(VI)
• Formula: C6 H16 Cr N2 O4
• Calculated formula: C6 H16 Cr N2 O4
• SMILES: [NH3+][C@H]1[C@H]([NH3+])CCCC1.[Cr](=O)(=O)([O-])[O-].[NH3+][C@@H]1[C@@H]([NH3+])CCCC1.[Cr](=O)(=O)([O-])[O-]
• Title of publication: Crystal structure of <i>trans</i>-cyclohexane-1,2-diammonium chromate(VI) from synchrotron X-ray diffraction data
• Authors of publication: Moon, Dohyun; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1872 - 1874
• a: 9.91 ± 0.002 Å
• b: 8.373 ± 0.0017 Å
• c: 22.999 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1908.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.65 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes