Information card for entry 7015417

Structure parameters

• Chemical name: [UO2(salmnt(Et2N)2)(py)]
• Formula: C31 H33 N7 O4 U
• Calculated formula: C31 H33 N7 O4 U
• SMILES: [U]123(Oc4c(ccc(N(CC)CC)c4)C=[N]3C(=C([N]1=Cc1ccc(N(CC)CC)cc1O2)C#N)C#N)(=O)([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: 11.524 ± 0.005 Å
• b: 27.818 ± 0.005 Å
• c: 19.211 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.028 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6158 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No