Information card for entry 4302094

Structure parameters

• Formula: C36 H33 N6 Nd O3
• Calculated formula: C36 H33 N6 Nd O3
• SMILES: [Nd]12345678Oc9cccc%10ccc([n]6c9%10)C[N]63CC[N]5(CC[N]4(CC6)Cc3[n]7c4c(cc3)cccc4O1)Cc1[n]8c3c(cc1)cccc3O2
• 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: 11.701 ± 0.002 Å
• b: 33.114 ± 0.006 Å
• c: 8.1031 ± 0.0017 Å
• α: 90°
• β: 108.902 ± 0.007°
• γ: 90°
• Cell volume: 2970.4 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No