Information card for entry 7013716

Structure parameters

• Formula: C54 H45 O13 P3 Re2 U
• Calculated formula: C54 H45 O13 P3 Re2 U
• SMILES: [U](=O)(=O)([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
• Title of publication: The structural and spectroscopic characterisation of three actinyl complexes with coordinated and uncoordinated perrhenate: [UO2(ReO4)2(TPPO)3], [[(UO2)(TPPO)3]2(mu2-O2)][ReO4]2 and [NpO2(TPPO)4][ReO4].
• Authors of publication: John, Gordon H.; May, Iain; Sarsfield, Mark J.; Steele, Helen M.; Collison, David; Helliwell, Madeleine; McKinney, James D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 734 - 740
• a: 13.98 ± 0.01 Å
• b: 15.93 ± 0.01 Å
• c: 13.23 ± 0.01 Å
• α: 94.65 ± 0.04°
• β: 111.53 ± 0.04°
• γ: 83.36 ± 0.03°
• Cell volume: 2720 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No