Information card for entry 4321448

Structure parameters

• Formula: C19 H38 F9 N4 O16 S3 Yb
• Calculated formula: C19 H32 F9 N4 O16 S3 Yb
• SMILES: [Yb]12([O]=C(N(C)C)CCC(=[O]1)N(C)C)([O]=C(N(C)C)CCC(=[O]2)N(C)C)([OH2])([OH2])[OH2].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Coordination of Lanthanide Triflates and Perchlorates with N,N,N',N'-Tetramethylsuccinamide
• Authors of publication: Brian M. Rapko; Bruce K. McNamara; Robin D. Rogers; Grant A. Broker; Gregg J. Lumetta; Benjamin P. Hay
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4858 - 4867
• a: 8.6719 ± 0.00001 Å
• b: 12.2683 ± 0.0002 Å
• c: 19.8094 ± 0.0003 Å
• α: 75.815 ± 0.0001°
• β: 86.805 ± 0.001°
• γ: 72.607 ± 0.0001°
• Cell volume: 1949.48 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections: 0.2237
• Weighted residual factors for significantly intense reflections: 0.2142
• Goodness-of-fit parameter for all reflections: 1.168
• Goodness-of-fit parameter for significantly intense reflections: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No