Information card for entry 7110304

Structure parameters

• Formula: C54 H45 O13 P3 Tc2 U
• Calculated formula: C54 H45 O13 P3 Tc2 U
• SMILES: [U](=O)(=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(O[Tc](=O)(=O)=O)O[Tc](=O)(=O)=O
• Title of publication: Coordination of pertechnetate [TcO4]? to actinides
• Authors of publication: Sarsfield, Mark J.; Sutton, Andrew D.; May, Iain; John, Gordon H.; Sharrad, Clint; Helliwell, Madeleine
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 20
• Pages of publication: 2320 - 2321
• a: 13.8713 ± 0.0013 Å
• b: 15.6591 ± 0.0015 Å
• c: 12.994 ± 0.0012 Å
• α: 95.128 ± 0.002°
• β: 111.652 ± 0.001°
• γ: 82.66 ± 0.002°
• Cell volume: 2599.1 ± 0.4 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: 0.0307
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No