Information card for entry 2012781

Structure parameters

• Chemical name: (Dibenzylsulfoxido-κO)bis(1,3-diphenylpropane-1,3-dionato- κ^2^O,O')dioxouranium(VI)
• Formula: C44 H36 O7 S U
• Calculated formula: C44 H36 O7 S U
• SMILES: [U]12(=O)(=O)(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)[O]=S(Cc1ccccc1)Cc1ccccc1
• Title of publication: (Dibenzyl sulfoxide-κ<i>O</i>)bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI)
• Authors of publication: Fun, Hoong-Kun; Kannan, S.; Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m368 - m370
• a: 12.3178 ± 0.0001 Å
• b: 15.5281 ± 0.0001 Å
• c: 20.4617 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3913.75 ± 0.04 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes