Information card for entry 4302152

Structure parameters

• Formula: C36 H64 N24 O38 Re3 Yb
• Calculated formula: C36 H64 N24 O38 Re3 Yb
• SMILES: C1(=O)N2C3C4N1CN1C(=O)N5C6C1N1CN4C(=O)N3CN3C4C7N(CN8C(=O)N9CN%10C(=O)N%11C%12C%10N(C(=O)N%12CN%10C%12C(N(C5)C(=O)N%12C%11)N(CN6C1=O)C%10=O)CN1C9C8N(C1=O)CN7C3=O)C(=O)N4C2.[OH2][Yb]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[O-][Re](=O)(=O)=O.[O-][Re](=O)(=O)=O.O.O.O.[O-][Re](=O)(=O)=O.O.O.O
• Title of publication: Lanthanide Complexes with Cucurbit[n]urils (n= 5, 6, 7) and Perrhenate Ligands: New Examples of Encapsulation of Perrhenate Anions
• Authors of publication: Pierre Thuéry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4497 - 4513
• a: 21.4401 ± 0.0008 Å
• b: 11.8371 ± 0.0003 Å
• c: 24.8039 ± 0.001 Å
• α: 90°
• β: 102.587 ± 0.002°
• γ: 90°
• Cell volume: 6143.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No