Information card for entry 7110303

Structure parameters

• Formula: C48 H108 O20 P4 Tc4 Th
• Calculated formula: C48 H108 O20 P4 Tc4 Th
• SMILES: [Th](O[Tc](=O)(=O)=O)([O]=P(CCCC)(CCCC)CCCC)(O[Tc](=O)(=O)=O)([O]=P(CCCC)(CCCC)CCCC)(O[Tc](=O)(=O)=O)([O]=P(CCCC)(CCCC)CCCC)(O[Tc](=O)(=O)=O)[O]=P(CCCC)(CCCC)CCCC
• 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: 21.386 ± 0.004 Å
• b: 21.732 ± 0.004 Å
• c: 14.82 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6888 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No