Information card for entry 2228995

Structure parameters

• Common name: Sr(C8 H6 O5)
• Chemical name: Poly[μ-aqua-μ~4~-terephthalato-strontium]
• Formula: C8 H6 O5 Sr
• Calculated formula: C8 H6 O5 Sr
• SMILES: [Sr+2].[O-]C(=O)c1ccc(cc1)C(=O)[O-].O
• Title of publication: Poly[μ-aqua-μ~4~-terephthalato-strontium]
• Authors of publication: Yang, Lei; Zhao, Dan; Li, Guanghua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m282
• a: 11.8724 ± 0.0003 Å
• b: 7.1308 ± 0.0001 Å
• c: 20.0592 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1698.21 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0421
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes