Information card for entry 4318068

Structure parameters

• Chemical name: (Dioxo)trans-di-2,6-diphenylphenoxy(ditetrahydrofuran)uranium(VI)
• Formula: C44 H42 O6 U
• Calculated formula: C44 O6 U
• SMILES: [U](=O)(=O)(Oc1c(cccc1c1ccccc1)c1ccccc1)(Oc1c(cccc1c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Steric Control of Substituted Phenoxide Ligands on Product Structures of Uranyl Aryloxide Complexes
• Authors of publication: Marianne P. Wilkerson; Carol J. Burns; David E. Morris; Robert T. Paine; Brian L. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3110 - 3120
• a: 15.3847 ± 0.0018 Å
• b: 18.4434 ± 0.0012 Å
• c: 12.773 ± 0.003 Å
• α: 90°
• β: 89.987 ± 0.013°
• γ: 90°
• Cell volume: 3624.3 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No