Information card for entry 1516403

Structure parameters

• Formula: C10 H18 Cl3 N2 O5 Tb
• Calculated formula: C10 H18 Cl3 N2 O5 Tb
• SMILES: [Tb]1([n]2c(c3[n]1cccc3)cccc2)(Cl)([OH2])(Cl)([OH2])([OH2])[OH2].[Cl-].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: 6.9347 ± 0.0006 Å
• b: 10.9975 ± 0.001 Å
• c: 11.4293 ± 0.0013 Å
• α: 89.275 ± 0.005°
• β: 85.846 ± 0.003°
• γ: 75.644 ± 0.003°
• Cell volume: 842.2 ± 0.14 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: 0.0168
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No