Information card for entry 7007828

Structure parameters

• Formula: C56 H51 O17 P3 Re3 Th
• Calculated formula: C56 H52 O17 P3 Re3 Th
• SMILES: [Th]([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(O[Re](=O)(=O)=O)(O[Re](=O)(=O)=O)(O[Re](=O)(=O)=O)(OC)OC
• Title of publication: The coordination of perrhenate and pertechnetate to thorium(IV) in the presence of phosphine oxide or phosphate ligands.
• Authors of publication: Sutton, Andrew D.; May, Iain; Sharrad, Clint A.; Sarsfield, Mark J.; Helliwell, Madeleine
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 48
• Pages of publication: 5734 - 5742
• a: 21.342 ± 0.013 Å
• b: 13.669 ± 0.008 Å
• c: 22.453 ± 0.014 Å
• α: 90°
• β: 115.54 ± 0.008°
• γ: 90°
• Cell volume: 5910 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No