Information card for entry 4302096

Structure parameters

• Formula: C78 H86 F9 N12 Nd2 O18 S3
• Calculated formula: C78 H76 F9 N12 Nd2 O18 S3
• Title of publication: Structural and Photophysical Studies of Highly Stable Lanthanide Complexes of Tripodal 8-Hydroxyquinolinate Ligands Based on 1,4,7-Triazacyclononane
• Authors of publication: Aline Nonat; Daniel Imbert; Jacques Pécaut; Marion Giraud; Marinella Mazzanti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4207 - 4218
• a: 12.9868 ± 0.0019 Å
• b: 13.748 ± 0.002 Å
• c: 23.95 ± 0.004 Å
• α: 89.995 ± 0.003°
• β: 74.878 ± 0.002°
• γ: 77.08 ± 0.003°
• Cell volume: 4015.8 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No