Information card for entry 2207432

Structure parameters

• Chemical name: Poly[aquahemi(μ~6~-benzene-1,2,4,5-tetracarboxylato)hemi(μ~6~- 2,5-dicarboxybenzene-1,4-dicarboxylato)samarium]
• Formula: C20 H10 O18 Sm2
• Calculated formula: C20 H10 O18 Sm2
• SMILES: c1(cc(c(cc1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].c1c(c(C(=O)[O-])cc(c1C(=O)[O-])C(=O)O)C(=O)O.[Sm+3].O.[Sm+3].O
• Title of publication: Poly[diaqua(μ~6~-benzene-1,2,4,5-tetracarboxylato)(μ~6~-2,5-dicarboxybenzene-1,4-dicarboxylato)disamarium]
• Authors of publication: Yu-Mei Dai; Xiao-Qin Wang; Jin-Feng Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2548 - m2549
• a: 6.3222 ± 0.0008 Å
• b: 9.2626 ± 0.0011 Å
• c: 9.4421 ± 0.0012 Å
• α: 88.316 ± 0.002°
• β: 73.963 ± 0.002°
• γ: 76.626 ± 0.002°
• Cell volume: 516.65 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes