Information card for entry 4311514

Structure parameters

• Formula: C51 H48 O15 P4 Re2 U
• Calculated formula: C51 H48 O15 P4 Re2 U
• SMILES: [U]12(=O)(=O)([O]=P(CP(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(CP(=[O]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)O[Re](=O)(=O)=O.[Re](=O)(=O)(=O)[O-].CO
• Title of publication: Spectroscopic Evidence for the Direct Coordination of the Pertechnetate Anion to the Uranyl Cation in [UO2(TcO4)(DPPMO2)2]+
• Authors of publication: Andrew D. Sutton; Gordon H. John; Mark J. Sarsfield; Joanna C. Renshaw; Iain May; Leigh R. Martin; Andrew J. Selvage; David Collison; Madeleine Helliwell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5480 - 5482
• a: 10.8208 ± 0.0011 Å
• b: 14.0952 ± 0.0015 Å
• c: 19.307 ± 0.002 Å
• α: 108.702 ± 0.002°
• β: 98.098 ± 0.002°
• γ: 100.592 ± 0.002°
• Cell volume: 2677.8 ± 0.5 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: 0.0506
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No