Information card for entry 4301365

Structure parameters

• Formula: C36 H58 N25 O44 Re4 Sm U
• Calculated formula: C36 H56 N25 O44 Re4 Sm U
• SMILES: [Sm]12([O]=C3N4CN5C(=O)N6CN7C(=[O][U](=O)(=O)(O[Re](=O)(=O)=O)([OH2])([OH2])[OH2])N8C9N%10C(=O)N(C79)CN7C6C5N(C7=O)CN6C4C5N3CN4C(=[O]2)N2C7N(C(=O)N(CN5C6=O)C47)CN4C5N(C2)C(=O)N2C5N(C4=O)CN4C5N(C2)C(=O)N(C5N(C4=O)C%10)C8)(O[Re](=O)(=O)=O)([O]=N(O1)=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: 12.3227 ± 0.0002 Å
• b: 25.4575 ± 0.0008 Å
• c: 20.8405 ± 0.0007 Å
• α: 90°
• β: 90.738 ± 0.002°
• γ: 90°
• Cell volume: 6537.2 ± 0.3 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: 0.0589
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No