Information card for entry 7015418

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([N](C(=C([N]3=Cc3c(cc(N(CC)CC)cc3)O2)C#N)C#N)=Cc2ccc(N(CC)CC)cc2O1)([n]1ccccc1)(=O)=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: 10.002 ± 0.005 Å
• b: 13.122 ± 0.005 Å
• c: 13.456 ± 0.005 Å
• α: 111.483 ± 0.005°
• β: 91.195 ± 0.005°
• γ: 105.695 ± 0.005°
• Cell volume: 1567.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No