Information card for entry 2015113

Structure parameters

• Chemical name: Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]
• Formula: C9 H8 O6 Sr
• Calculated formula: C9 H8 O6 Sr
• SMILES: [Sr][OH2].[O-]C(=O)COc1ccc(cc1)C(=O)[O-]
• Title of publication: Poly[strontium(II)-μ~2~-aqua-μ~5~-4-carboxylatophenoxyacetato]
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m523 - m525
• a: 12.028 ± 0.002 Å
• b: 7.428 ± 0.0015 Å
• c: 22.062 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1971.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes