Information card for entry 7122331

Structure parameters

• Common name: DS-245
• Formula: C56 H74 N4 O2 Si2 Yb
• Calculated formula: C56 H74 N4 O2 Si2 Yb
• Title of publication: Molecular hydrides of divalent ytterbium supported by a macrocyclic ligand: synthesis, structure and olefin hydrofunctionalization catalysis.
• Authors of publication: Schuhknecht, Danny; Truong, Khai-Nghi; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 80
• Pages of publication: 11280 - 11283
• a: 15.0291 ± 0.001 Å
• b: 19.9303 ± 0.0019 Å
• c: 18.7135 ± 0.0017 Å
• α: 90°
• β: 110.869 ± 0.005°
• γ: 90°
• Cell volume: 5237.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No