Information card for entry 4301368

Structure parameters

• Formula: C36 H58 Lu N25 O44 Re4 U
• Calculated formula: C36 H54 Lu N25 O44 Re4 U
• SMILES: [Lu]1([O]=C2N3CN4C(=O)N5CN6C(=[O][U](=O)(=O)(O[Re](=O)(=O)=O)([OH2])([OH2])[OH2])N7C8N9C(=O)N(C68)CN6C5C4N(C6=O)CN5C3C4N2CN3C(=[O]1)N1C6N(C(=O)N(CN4C5=O)C36)CN3C4N(C1)C(=O)N1C4N(C3=O)CN3C4N(C1)C(=O)N(C4N(C3=O)C9)C7)(O[Re](=O)(=O)=O)(ON(=O)=O)([OH2])([OH2])([OH2])[OH2].[Re](=O)(=O)(=O)[O-].[Re](=O)(=O)(=O)[O-].O.O.O.O
• Title of publication: Uranyl-Lanthanide Heterometallic Complexes with Cucurbit[6]uril and Perrhenate Ligands
• Authors of publication: Pierre Thuéry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 825 - 827
• a: 12.2658 ± 0.0004 Å
• b: 25.7983 ± 0.0009 Å
• c: 20.5848 ± 0.0008 Å
• α: 90°
• β: 90.627 ± 0.002°
• γ: 90°
• Cell volume: 6513.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No