Information card for entry 1516405

Structure parameters

• Formula: C20 H38.3 Cl6 N4 O11.15 Tb2
• Calculated formula: C20 H38 Cl6 N4 O11.15 Tb2
• SMILES: Cl[Tb]1(Cl)([OH2])([OH2])([OH2])([OH2])[n]2ccccc2c2[n]1cccc2.Cl[Tb]1([OH2])([OH2])([OH2])([OH2])([OH2])[n]2ccccc2c2[n]1cccc2.O.[Cl-].[Cl-].[Cl-].O.O
• Title of publication: Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine.
• Authors of publication: Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 27
• Pages of publication: 9265 - 9277
• a: 8.0501 ± 0.0005 Å
• b: 9.4525 ± 0.0005 Å
• c: 23.9554 ± 0.0013 Å
• α: 86.419 ± 0.001°
• β: 87.878 ± 0.001°
• γ: 75.301 ± 0.001°
• Cell volume: 1759.33 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No