Information card for entry 2100404

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: Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
• Authors of publication: M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: 68 - 85
• a: 21.417 ± 0.006 Å
• b: 21.649 ± 0.006 Å
• c: 14.848 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6884 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No