Information card for entry 2015954

Structure parameters

• Chemical name: tetraaquaberyllium 4-oxo-4H-pyran-2,6-dicarboxylate
• Formula: C7 H10 Be O10
• Calculated formula: C7 H10 Be O10
• SMILES: [Be]([OH2])([OH2])([OH2])[OH2].o1c(C(=O)[O-])cc(=O)cc1C(=O)[O-]
• Title of publication: Cationic, neutral and anionic metal(II) complexes derived from 4-oxo-4<i>H</i>-pyran-2,6-dicarboxylic acid (chelidonic acid)
• Authors of publication: Yasodha, Vaduganathan; Govindarajan, Subbaiah; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m207 - m215
• a: 5.4331 ± 0.0002 Å
• b: 10.6173 ± 0.0004 Å
• c: 19.189 ± 0.0005 Å
• α: 90°
• β: 97.771 ± 0.002°
• γ: 90°
• Cell volume: 1096.75 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes