Information card for entry 7011318

Structure parameters

• Chemical name: potassium hydroorotate
• Formula: C5 H3 K N2 O4
• Calculated formula: C5 H3 K N2 O4
• 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: 6.834 ± 0.003 Å
• b: 12.565 ± 0.006 Å
• c: 7.668 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 658.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1222
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No