Information card for entry 2011643

Structure parameters

• Chemical name: Bis(1,3-diphenylpropane-1,3-dionato-O,O')(diphenyl sulfoxide-S)dioxouranium(VI)
• Formula: C42 H32 O7 S U
• Calculated formula: C42 H32 O7 S U
• SMILES: [U]12(OC(c3ccccc3)=CC(=[O]1)c1ccccc1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)(=O)(=O)[O]=S(c1ccccc1)c1ccccc1
• Title of publication: Bis(1,3-diphenylpropane-1,3-dionato-<i>O</i>,<i>O</i>')(diphenyl sulfoxide-<i>O</i>)dioxouranium(VI)
• Authors of publication: Kannan, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e545 - e546
• a: 10.2673 ± 0.0001 Å
• b: 10.3671 ± 0.0002 Å
• c: 17.3596 ± 0.0001 Å
• α: 95.459 ± 0.001°
• β: 103.172 ± 0.001°
• γ: 96.048 ± 0.001°
• Cell volume: 1775.57 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.057
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes