Information card for entry 7122332

Structure parameters

• Common name: DS602a (n17_b03)
• Formula: C63 H95 B N4 O3 Yb
• Calculated formula: C63 H95 B N4 O3 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: 12.394 ± 0.0014 Å
• b: 13.0452 ± 0.0016 Å
• c: 19.0172 ± 0.0019 Å
• α: 102.769 ± 0.005°
• β: 92.103 ± 0.006°
• γ: 94.209 ± 0.005°
• Cell volume: 2986.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No