Information card for entry 7015422

Structure parameters

• Chemical name: [UO2(salophen)(py)]
• Formula: C25 H19 N3 O4 U
• Calculated formula: C25 H19 N3 O4 U
• SMILES: [U]123(=O)(Oc4c(cccc4)C=[N]2c2ccccc2[N]3=Cc2ccccc2O1)([n]1ccccc1)=O
• Title of publication: Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand.
• Authors of publication: Hardwick, Helen C.; Royal, Drew S.; Helliwell, Madeleine; Pope, Simon J. A.; Ashton, Lorna; Goodacre, Roy; Sharrad, Clint A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 22
• Pages of publication: 5939 - 5952
• a: 17.3821 ± 0.0014 Å
• b: 9.6222 ± 0.0008 Å
• c: 14.6513 ± 0.0012 Å
• α: 90°
• β: 113.858 ± 0.001°
• γ: 90°
• Cell volume: 2241.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No