Information card for entry 2232838

Structure parameters

• Chemical name: Poly[tetrakis(μ-benzene-1,2-dicarboxylato)di-μ-formato-pentastrontium(II)]
• Formula: C34 H18 O20 Sr5
• Calculated formula: C34 H18 O20 Sr5
• SMILES: C(=O)(c1ccccc1C(=O)[O-])[O-].[Sr+2].O=C[O-].[Sr+2].C(=O)(c1ccccc1C(=O)[O-])[O-].[Sr+2].C(=O)(c1ccccc1C(=O)[O-])[O-].[Sr+2].O=C[O-].[Sr+2].C(=O)([O-])c1ccccc1C(=O)[O-]
• Title of publication: Poly[tetrakis(μ-benzene-1,2-dicarboxylato)di-μ-formato-pentastrontium(II)]
• Authors of publication: Cheng, Pei-Chi; Zhan, Jun-Xiang; Wu, Cheng-You; Lin, Chia-Her
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1647
• a: 7.0292 ± 0.0003 Å
• b: 10.2892 ± 0.0004 Å
• c: 12.5439 ± 0.0005 Å
• α: 91.361 ± 0.002°
• β: 90.407 ± 0.002°
• γ: 104.998 ± 0.002°
• Cell volume: 876 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes