Information card for entry 2231124

Structure parameters

• Chemical name: Poly[[μ-aqua-tetraaquabis(μ-2-hydroxy-4-oxocyclobut-1-ene- 1,3-diolato)strontium] hemihydrate]
• Formula: C8 H13 O13.5 Sr
• Calculated formula: C8 H13 O13.5 Sr
• SMILES: [Sr]([OH2])([OH2])([OH2])([OH2])([OH2])(OC1=C(O)C(=O)C1=O)OC1=C(O)C(=O)C1=[O][Sr]([OH2])([OH2])([OH2])([OH2])([OH2])(OC1=C(O)C(=O)C1=O)OC1=C(O)C(=O)C1=O.O
• Title of publication: Poly[[μ-aqua-tetraaquabis(μ-2-hydroxy-4-oxocyclobut-1-ene-1,3-diolato)strontium] hemihydrate]
• Authors of publication: Bouhali, Amira; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Bataille, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1130 - m1131
• a: 24.885 ± 0.003 Å
• b: 8.8026 ± 0.0009 Å
• c: 13.8918 ± 0.0017 Å
• α: 90°
• β: 119.609 ± 0.004°
• γ: 90°
• Cell volume: 2645.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes