Information card for entry 2005721

Structure parameters

• Chemical name: Triaqua(oxydiacetato-O,O',O'')strontium(II) Monohydrate
• Formula: C4 H12 O9 Sr
• Calculated formula: C4 H12 O9 Sr
• SMILES: [Sr]12(OC(=O)C[O]1CC(=O)[O]2)([OH2])([OH2])[OH2].O
• Title of publication: Triaqua(oxydiacetato-<i>O</i>,<i>O</i>',<i>O</i>'')strontium(II) Monohydrate
• Authors of publication: Baggio, R.; Perec, M.; Garland, M. T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2996 - 2999
• a: 11.4 ± 0.002 Å
• b: 7.135 ± 0.001 Å
• c: 13.113 ± 0.002 Å
• α: 90°
• β: 114.49 ± 0.01°
• γ: 90°
• Cell volume: 970.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.0771
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No