Information card for entry 2215285

Structure parameters

• Chemical name: Bis(2-aminopyrimidin-1-ium) dichromate(VI)
• Formula: C8 H12 Cr2 N6 O7
• Calculated formula: C8 H12 Cr2 N6 O7
• SMILES: [nH+]1c(N)nccc1.[nH+]1c(N)nccc1.[Cr]([O-])(=O)(=O)O[Cr]([O-])(=O)=O
• Title of publication: Bis(2-aminopyrimidin-1-ium) dichromate(VI)
• Authors of publication: Sieroń, Lesław
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2336 - m2336
• a: 5.4576 ± 0.0002 Å
• b: 7.6077 ± 0.0002 Å
• c: 18.684 ± 0.001 Å
• α: 99.429 ± 0.001°
• β: 91.277 ± 0.001°
• γ: 108.319 ± 0.002°
• Cell volume: 724.23 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0233
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes