Information card for entry 4321239

Structure parameters

• Formula: C55 H50.5 F9 N11.5 Nd O13 S3
• Calculated formula: C55.02 H36 F9 N11.5 Nd O12.99 S3
• Title of publication: Solid-State and Solution Structure of Lanthanide Complexes of a New Nonadentate Tripodal Ligand Containing Phenanthroline Binding Units
• Authors of publication: Yann Bretonnière; Raphaël Wietzke; Colette Lebrun; Marinella Mazzanti; Jacques Pécaut
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3499 - 3505
• a: 17.8653 ± 0.0019 Å
• b: 17.8653 ± 0.0019 Å
• c: 11.5697 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3198 ± 0.7 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1619
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No