Information card for entry 7015423

Structure parameters

• Chemical name: [UO2(salen)(TPPO)].TPPO
• Formula: C52 H44 N2 O6 P2 U
• Calculated formula: C52 H44 N2 O6 P2 U
• SMILES: [U]123(Oc4ccccc4C=[N]3CC[N]2=Cc2ccccc2O1)(=O)(=O)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 8.554 ± 0.005 Å
• b: 15.309 ± 0.005 Å
• c: 17.738 ± 0.005 Å
• α: 97.947 ± 0.005°
• β: 92.478 ± 0.005°
• γ: 106.066 ± 0.005°
• Cell volume: 2202.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No