Information card for entry 2018420

Structure parameters

• Common name: Diammonium carbonate peroxosolvate
• Chemical name: Diammonium carbonate hydrogen peroxide monosolvate
• Formula: C H10 N2 O5
• Calculated formula: C H10 N2 O5
• SMILES: C(=O)([O-])[O-].OO.[NH4+].[NH4+]
• Title of publication: Ammonium and caesium carbonate peroxosolvates: supramolecular networks formed by hydrogen bonds
• Authors of publication: Medvedev, Alexander G.; Mikhaylov, Alexey A.; Churakov, Andrei V.; Prikhodchenko, Petr V.; Lev, Ovadia
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: i20 - i24
• a: 7.5657 ± 0.0009 Å
• b: 9.9027 ± 0.0012 Å
• c: 7.5819 ± 0.0009 Å
• α: 90°
• β: 98.05 ± 0.002°
• γ: 90°
• Cell volume: 562.45 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes