Information card for entry 7704930

Structure parameters

• Common name: Uranyl derivative
• Formula: C29 H25 N7 O5 U
• Calculated formula: C29 H25 N7 O5 U
• SMILES: [U]123([O]=CN(C)C)(OC(=N[N]2=C(C(=[N]3N=C(O1)c1ccncc1)c1ccccc1)c1ccccc1)c1ccncc1)(=O)=O
• Title of publication: Detailed characterization of dioxouranium(vi) complexes with a symmetrical tetradentate N₂O₂-benzil bis(isonicotinoyl hydrazone) ligand.
• Authors of publication: Sethi, Sipun; Panigrahi, Rachita; Paul, Avijit Kumar; Mallik, Bhabani S.; Parhi, Purnendu; Das, Pradeep Kumar; Behera, Nabakrushna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 30
• Pages of publication: 10603 - 10612
• a: 10.8264 ± 0.0004 Å
• b: 11.7605 ± 0.0004 Å
• c: 12.8454 ± 0.0004 Å
• α: 72.985 ± 0.001°
• β: 79.216 ± 0.001°
• γ: 66.578 ± 0.001°
• Cell volume: 1430.39 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No