Information card for entry 2227831

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquastrontium(II)]-bis[μ-2-(3-benzoylphenyl)propanoato]]
• Formula: C32 H30 O8 Sr
• Calculated formula: C32 H30 O8 Sr
• SMILES: [Sr]1([OH2])([OH2])([O]2C(=[O]1)[C@H](C)c1cccc(c1)C(=O)c1ccccc1)[O]1C([C@@H](C)c3cccc(c3)C(=O)c3ccccc3)=[O][Sr]123([OH2])([OH2])(OC(=[O]3)[C@H](C)c1cccc(c1)C(=O)c1ccccc1)OC([C@@H](C)c3cccc(c3)C(=O)c1ccccc1)=O
• Title of publication: <i>catena</i>-Poly[[diaquastrontium(II)]-bis[μ-2-(3-benzoylphenyl)propanoato]]
• Authors of publication: Zhang, Zhu-Yan; Yu, Nan; Li, Min; Wu, Ning-Xin; Liu, Bing-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1183
• a: 18.665 ± 0.004 Å
• b: 8.0406 ± 0.0016 Å
• c: 19.377 ± 0.004 Å
• α: 90°
• β: 93.26 ± 0.03°
• γ: 90°
• Cell volume: 2903.4 ± 1 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: 0.1029
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes