Information card for entry 7706182

Structure parameters

• Formula: C34 H32 Ce N4 O4
• Calculated formula: C34 H32 Ce N4 O4
• SMILES: [Ce]123456(Oc7c(cccc7)C=[N]4CCC[N]5=Cc4c(O1)cccc4)Oc1c(C=[N]6CCC[N]2=Cc2ccccc2O3)cccc1
• Title of publication: Systematic comparison of the structure of homoleptic tetradentate N₂O₂-type Schiff base complexes of tetravalent f-elements (M(IV) = Ce, Th, U, Np, and Pu) in solid state and in solution.
• Authors of publication: Radoske, Thomas; Kloditz, Roger; Fichter, Sebastian; März, Juliane; Kaden, Peter; Patzschke, Michael; Schmidt, Moritz; Stumpf, Thorsten; Walter, Olaf; Ikeda-Ohno, Atsushi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17559 - 17570
• a: 8.5959 ± 0.0007 Å
• b: 13.3829 ± 0.001 Å
• c: 13.4915 ± 0.001 Å
• α: 103.25 ± 0.002°
• β: 100.909 ± 0.002°
• γ: 97.822 ± 0.002°
• Cell volume: 1457 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No