Information card for entry 2203593

Structure parameters

• Chemical name: Poly[diaqua(μ~6~-benzene-1,2,4,5-tetracarboxylato)(μ~6~-2,5- dicarboxybenzene-1,4-dicarboxylato)dilanthanum(III)]
• Formula: C20 H10 La2 O18
• Calculated formula: C20 H10 La2 O18
• SMILES: c1(c(C(=O)[O-])cc(c(c1)C(=O)[O-])C(=O)O)C(=O)O.c1c(C(=O)[O-])c(cc(c1C(=O)[O-])C(=O)[O-])C(=O)[O-].[La+3].[La+3].O.O
• Title of publication: Poly[diaqua(μ~6~-benzene-1,2,4,5-tetracarboxylato)(μ~6~-2,5-dicarboxybenzene-1,4-dicarboxylato)dilanthanum(III)]
• Authors of publication: Yi-Hang Wen; Jian Zhang; Zhao-Ji Li; Ye-Yan Qin; Yao Kang; Rui-Feng Hu; Jian-Kai Cheng; Yuan-Gen Yao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m535 - m537
• a: 6.441 ± 0.001 Å
• b: 9.4467 ± 0.0003 Å
• c: 9.6323 ± 0.0001 Å
• α: 88.518 ± 0.002°
• β: 74.744 ± 0.002°
• γ: 76.66 ± 0.002°
• Cell volume: 549.8 ± 0.09 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: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes