Information card for entry 2213945

Structure parameters

• Chemical name: Creatininium hydrogen oxalate monohydrate
• Formula: C6 H11 N3 O6
• Calculated formula: C6 H11 N3 O6
• Title of publication: Creatininium hydrogen oxalate monohydrate
• Authors of publication: S. Asath Bahadur; R. Sayee Kannan; B. Sridhar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2387 - o2389
• a: 9.1728 ± 0.0007 Å
• b: 6.352 ± 0.0005 Å
• c: 16.6567 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 970.51 ± 0.13 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes