Information card for entry 2216757

Structure parameters

• Chemical name: Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-disamarium(III)]
• Formula: C20 H12 O12 Sm2
• Calculated formula: C20 H12 O12 Sm2
• SMILES: [Sm+3].[Sm+3].C(=O)([O-])CCC(=O)[O-].O=C(c1ccc(C(=O)[O-])cc1)[O-].C(=O)(c1ccc(C(=O)[O-])cc1)[O-]
• Title of publication: Poly[di-μ~4~-benzene-1,4-dicarboxylato-μ~6~-succinato-disamarium(III)]
• Authors of publication: Qin He; Bao-Jun Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2923 - m2923
• a: 13.9896 ± 0.0002 Å
• b: 6.8923 ± 0.0001 Å
• c: 21.8748 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2109.18 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes