Information card for entry 2233926

Structure parameters

• Chemical name: 1,1'-(Ethane-1,2-diyl)dipyridinium dichromate(VI)
• Formula: C12 H14 Cr2 N2 O7
• Calculated formula: C12 H14 Cr2 N2 O7
• SMILES: [Cr](=O)(=O)([O-])O[Cr](=O)(=O)[O-].[n+]1(ccccc1)CC[n+]1ccccc1
• Title of publication: 1,1'-(Ethane-1,2-diyl)dipyridinium dichromate(VI)
• Authors of publication: Gholizadeh, Mostafa; Pourayoubi, Mehrdad; Kia, Mehdi; Rheingold, Arnold L.; Golen, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m305
• a: 8.2882 ± 0.0004 Å
• b: 9.0722 ± 0.0004 Å
• c: 10.0179 ± 0.0005 Å
• α: 90°
• β: 91.882 ± 0.001°
• γ: 90°
• Cell volume: 752.86 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes