Information card for entry 1516407

Structure parameters

• Formula: C20 H26 Cl3 N4 O5 Tb
• Calculated formula: C20 H26 Cl3 N4 O5 Tb
• SMILES: [Tb]12([OH2])([OH2])([OH2])(Cl)([n]3ccccc3c3[n]2cccc3)[n]2c(c3[n]1cccc3)cccc2.O.O.[Cl-].[Cl-]
• 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: 17.0971 ± 0.001 Å
• b: 9.2782 ± 0.0005 Å
• c: 17.1306 ± 0.001 Å
• α: 90°
• β: 116.493 ± 0.0013°
• γ: 90°
• Cell volume: 2432.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No