Information card for entry 7042597

Structure parameters

• Formula: C39 H43 Cl2 N5 O4 Th
• Calculated formula: C39 H43 Cl2 N5 O4 Th
• SMILES: [Th]123(Cl)(Cl)(Oc4c(OCC)cccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2c(O1)c(OCC)ccc2)([n]1ccccc1)[n]1ccccc1.n1ccccc1.[Th]123(Cl)(Cl)(Oc4c(OCC)cccc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2c(O1)c(OCC)ccc2)([n]1ccccc1)[n]1ccccc1.n1ccccc1
• Title of publication: Schiff base thorium(iv) and uranium(iv) chloro complexes: synthesis, substitution and oxidation chemistry.
• Authors of publication: Stobbe, Brian C.; Powell, Douglas R.; Thomson, Robert K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 4888 - 4892
• a: 16.806 ± 0.013 Å
• b: 14.283 ± 0.011 Å
• c: 15.268 ± 0.012 Å
• α: 90°
• β: 92.515 ± 0.014°
• γ: 90°
• Cell volume: 3661 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1747
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No