Information card for entry 4302095

Structure parameters

• Formula: C36 H33 N6 O3 Yb
• Calculated formula: C36 H33 N6 O3 Yb
• SMILES: [Yb]12345678Oc9cccc%10ccc([n]7c9%10)C[N]74CC[N]5(Cc4[n]3c3c(cc4)cccc3O1)CC[N]6(CC7)Cc1[n]8c3c(O2)cccc3cc1
• 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: 11.505 ± 0.0004 Å
• b: 32.765 ± 0.0014 Å
• c: 8.0582 ± 0.0003 Å
• α: 90°
• β: 108.992 ± 0.004°
• γ: 90°
• Cell volume: 2872.3 ± 0.2 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: 0.0922
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No