Information card for entry 7015421

Structure parameters

• Chemical name: [UO2(salmnt(Et2N)2)(TPPO)].H2O
• Formula: C44 H45 N6 O6 P U
• Calculated formula: C44 H43 N6 O6 P U
• 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: 11.164 ± 0.005 Å
• b: 14.139 ± 0.005 Å
• c: 14.165 ± 0.005 Å
• α: 107.335 ± 0.005°
• β: 105.515 ± 0.005°
• γ: 90.276 ± 0.005°
• Cell volume: 2047.9 ± 1.4 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: 0.0303
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No