Information card for entry 7042598

Structure parameters

• Formula: C34 H38 N10 O4 U
• Calculated formula: C34 H38 N10 O4 U
• SMILES: [U]123(Oc4c(OCC)cccc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2c(O1)c(OCC)ccc2)(N=N#N)(N=N#N)([n]1ccccc1)[n]1ccccc1.[U]123(Oc4c(OCC)cccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2c(O1)c(OCC)ccc2)(N=N#N)(N=N#N)([n]1ccccc1)[n]1ccccc1
• 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: 16.872 ± 0.004 Å
• b: 15.338 ± 0.003 Å
• c: 15.062 ± 0.003 Å
• α: 90°
• β: 93.301 ± 0.002°
• γ: 90°
• Cell volume: 3891.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.078
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No