Information card for entry 4113713

Structure parameters

• Chemical name: Ytterbium(iii)trisodiumtris-(S)-1,1'-bis(2-naphtoate) tetrahydrofurane solvate
• Formula: C84 H84 Na3 O12 Yb
• Calculated formula: C84 H84 Na3 O12 Yb
• SMILES: [Yb]123([O]4c5ccc6ccccc6c5c5c6c(ccc5[O]15)cccc6)([O]([Na]4([O]1CCCC1)[O]1CCCC1)c1ccc4ccccc4c1c1c([O]24)ccc2ccccc12)[O]([Na]5([O]1CCCC1)[O]1CCCC1)c1ccc2ccccc2c1c1c([O]3[Na]4([O]2CCCC2)[O]2CCCC2)ccc2ccccc12
• Title of publication: Solution versus Solid-State Structure of Ytterbium Heterobimetallic Catalysts
• Authors of publication: Lorenzo Di Bari; Moreno Lelli; Guido Pintacuda; Gennaro Pescitelli; Fabio Marchetti; Piero Salvadori
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5549 - 5558
• a: 15.286 ± 0.001 Å
• b: 15.286 ± 0.001 Å
• c: 18.709 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3785.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No