Information card for entry 2234101

Structure parameters

• Chemical name: Bis(4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-olato- κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)dioxidouranium(VI) methanol monosolvate
• Formula: C36 H34 N4 O8 U
• Calculated formula: C36 H34 N4 O8 U
• SMILES: c1(ccccc1)n1c2c(c(C)n1)C(c1ccccc1)=[O][U]1(Oc3c(c(C)nn3c3ccccc3)C(c3ccccc3)=[O]1)(O2)(=O)(=O)[OH]C.CO
• Title of publication: Bis(4-benzoyl-3-methyl-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-5-olato-κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)dioxidouranium(VI) methanol monosolvate
• Authors of publication: Dehbi, Ouarda; Keraghel, Saida; Bouacida, Sofiane; Benghanem, Fatiha; Ourari, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m457 - m458
• a: 10.3353 ± 0.0018 Å
• b: 12.988 ± 0.002 Å
• c: 13.955 ± 0.003 Å
• α: 69.938 ± 0.003°
• β: 81.728 ± 0.002°
• γ: 70.722 ± 0.003°
• Cell volume: 1659.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No