Information card for entry 7051226

Structure parameters

• Common name: Rubidium rhodizonate
• Formula: C6 O6 Rb2
• Calculated formula: C6 O6 Rb2
• SMILES: C1(=O)C(=O)C([O-])=C(C(=O)C1=O)[O-].[Rb+].[Rb+]
• Title of publication: Reversible solid-state interconversion of rhodizonic acid H2C6O6 into H6C6O8 and the solid-state structure of the rhodizonate dianion C6O62‒ (aromatic or non-aromatic?)
• Authors of publication: Braga, Dario; Cojazzi, Gianna; Maini, Lucia; Grepioni, Fabrizia
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 1221
• a: 12.522 ± 0.004 Å
• b: 8.354 ± 0.004 Å
• c: 3.761 ± 0.003 Å
• α: 90°
• β: 96.93 ± 0.05°
• γ: 90°
• Cell volume: 390.6 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No