Information card for entry 4312721

Structure parameters

• Formula: C66 H62 O34 Tb2
• Calculated formula: C66 H42 O34 Tb2
• SMILES: [Tb]([OH2])([OH2])([OH2])([OH2])(OC1=C(C(=O)C1=O)c1ccc(cc1)OC)([O]=C1C(=O)C(=C1c1ccc(cc1)OC)O[Tb]([OH2])([OH2])([OH2])([OH2])([OH2])(OC1=C(C(=O)C1=O)c1ccc(cc1)OC)OC1=C(C(=O)C1=O)c1ccc(cc1)OC)(OC1=C(C(=O)C1=O)c1ccc(cc1)OC)OC1=C(C(=O)C1=O)c1ccc(cc1)OC.O
• Title of publication: Attempted Syntheses of Lanthanide(III) Complexes of the Anisole- and Anilinosquarate Ligands
• Authors of publication: Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8344 - 8352
• a: 9.9302 ± 0.0002 Å
• b: 26.3743 ± 0.0005 Å
• c: 28.5376 ± 0.0005 Å
• α: 62.9737 ± 0.0009°
• β: 81.5369 ± 0.0007°
• γ: 87.1893 ± 0.0007°
• Cell volume: 6584 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections: 0.1325
• Weighted residual factors for significantly intense reflections: 0.1082
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No