Information card for entry 2014032

Structure parameters

• Chemical name: Diazabicyclo[2.2.2]octane-1,4-diium Trichromate
• Formula: C6 H14 Cr3 N2 O10
• Calculated formula: C6 H14 Cr3 N2 O10
• SMILES: [Cr](O[Cr](=O)(=O)[O-])(=O)(=O)O[Cr](=O)(=O)[O-].[NH+]12CC[NH+](CC1)CC2
• Title of publication: 1,4-Diazabicyclo[2.2.2]octane-1,4-diium trichromate
• Authors of publication: Cheng Rong Ding; Zhi Min Jin; Hai Bin Wang; Mao Lin Hu; He Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m203 - m204
• a: 7.4895 ± 0.0006 Å
• b: 9.7648 ± 0.0008 Å
• c: 10.1427 ± 0.0008 Å
• α: 87.661 ± 0.001°
• β: 69.497 ± 0.001°
• γ: 82.771 ± 0.001°
• Cell volume: 689.26 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0301
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes