Information card for entry 2017104

Structure parameters

• Common name: Adeninium oxalate hemioxalic acid hydrate
• Chemical name: adeninium oxalate hemi(oxalic acid) monohydrate
• Formula: C8 H10 N5 O7
• Calculated formula: C8 H10 N5 O7
• Title of publication: Supramolecular hydrogen-bonded networks in adeninediium hemioxalate chloride and adeninium semioxalate hemi(oxalic acid) monohydrate
• Authors of publication: Sridhar, Balasubramanian; Ravikumar, Krishnan; Varghese, Babu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o202 - o206
• a: 3.6222 ± 0.0003 Å
• b: 28.131 ± 0.003 Å
• c: 11.1101 ± 0.001 Å
• α: 90°
• β: 98.696 ± 0.002°
• γ: 90°
• Cell volume: 1119.06 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes