Information card for entry 7011319

Structure parameters

• Chemical name: Rubidiumhydroorotate
• Formula: C5 H3 N2 O4 Rb
• Calculated formula: C5 H3 N2 O4 Rb
• Title of publication: Hydrogen-bonded neutral and anionic lamellar networks: Crystal structures of bis(O,O',O″-hydroorotato)disilver(I) dihydrate, potassium hydroorotate and rubidium hydroorotate. Ab initio calculations on orotic acid and the hydroorotate anion
• Authors of publication: Somer Bekiroglu; Olof Kristiansson
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1330 - 1335
• a: 7.2007 ± 0.001 Å
• b: 12.7622 ± 0.0018 Å
• c: 7.7583 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 712.96 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 67
• Hermann-Mauguin space group symbol: C m m a
• Hall space group symbol: -C 2a 2
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No