Information card for entry 2209976

Structure parameters

• Chemical name: poly[[diaquatris(μ-benzene-1,4-dioxydiacetato)dilanthanum(III)] dihydrate]
• Formula: C30 H32 La2 O22
• Calculated formula: C30 H32 La2 O22
• SMILES: c1(ccc(cc1)OCC(=O)[O-])OCC(=O)[O-].[O-]C(=O)COc1ccc(OCC(=O)[O-])cc1.[La+3].[La+3].O.O.c1(ccc(cc1)OCC(=O)[O-])OCC(=O)[O-].O.O
• Title of publication: Poly[[diaquatris(μ-benzene-1,4-dioxydiacetato)dilanthanum(III)] dihydrate]
• Authors of publication: Xiao-Feng Li; Zheng-Bo Han
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1961 - m1963
• a: 12.1493 ± 0.0008 Å
• b: 16.9135 ± 0.0011 Å
• c: 8.9264 ± 0.0006 Å
• α: 90°
• β: 108.918 ± 0.001°
• γ: 90°
• Cell volume: 1735.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes