Information card for entry 2011270

Structure parameters

• Chemical name: Ethylene diammonium bis(hydrogenmalonate) monohydrate
• Formula: C8 H18 N2 O9
• Calculated formula: C8 H18 N2 O9
• SMILES: C([NH3+])C[NH3+].C(=O)(CC(=O)O)[O-].O.C(=O)(CC(=O)O)[O-]
• Title of publication: Hydrogen bonding in ethylenediammonium bis(hydrogen malonate) monohydrate
• Authors of publication: Barnes, John C.; Weakley, Timothy J. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e346 - e347
• a: 8.0276 ± 0.001 Å
• b: 8.7013 ± 0.0011 Å
• c: 9.543 ± 0.002 Å
• α: 90°
• β: 105.901 ± 0.013°
• γ: 90°
• Cell volume: 641.08 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.787
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No