Information card for entry 2205746

Structure parameters

• Chemical name: Pentaaqua(oxydiacetato-κ^3^O,O',O")strontium(II) monohydrate
• Formula: C4 H16 O11 Sr
• Calculated formula: C4 H16 O11 Sr
• SMILES: [Sr]12(OC(=[O])C[O]1CC(=O)O2)([OH2])([OH2])([OH2])([OH2])[OH2].O
• Title of publication: Pentaaqua(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')strontium(II) monohydrate
• Authors of publication: Gaduo; Jian-Rong Su; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m950 - m952
• a: 6.2548 ± 0.0003 Å
• b: 16.258 ± 0.0004 Å
• c: 11.46 ± 0.0004 Å
• α: 90°
• β: 91.601 ± 0.001°
• γ: 90°
• Cell volume: 1164.92 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes