Information card for entry 7003838

Structure parameters

• Formula: C21.75 H36.25 N2.75 O5.75 U
• Calculated formula: C21.75 H36.25 N2.75 O5.75 U
• SMILES: [U]123([OH][U]45(=O)(=O)([O]2C(C[N]4=Cc2c(O5)c(cc(c2)C(C)(C)C)C(C)(C)C)C[N]1=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)[O]=CN(C)C)(=O)(=O)[O]=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: Hydroxy- and alkoxy-bridged dinuclear uranyl‒Schiff base complexes: hydrolysis, transamination and extraction studies
• Authors of publication: Bharara, Mohan S.; Heflin, Kathryn; Tonks, Stephen; Strawbridge, Kara L.; Gorden, Anne E. V.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 22
• Pages of publication: 2966 - 2973
• a: 16.636 ± 0.002 Å
• b: 16.641 ± 0.002 Å
• c: 20.421 ± 0.003 Å
• α: 104.963 ± 0.002°
• β: 93.128 ± 0.003°
• γ: 103.839 ± 0.003°
• Cell volume: 5262.2 ± 1.2 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: 0.0695
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No