Information card for entry 4084714

Structure parameters

• Formula: C66 H114 B4 N4 O2 Yb2
• Calculated formula: C66 H110 B4 N4 O2 Yb2
• Title of publication: β-Diketiminate Rare Earth Borohydride Complexes: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of ε-Caprolactone and Trimethylene Carbonate
• Authors of publication: Schmid, Matthias; Guillaume, Sophie M.; Roesky, Peter W.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5392
• a: 30.4451 ± 0.0009 Å
• b: 10.4128 ± 0.0003 Å
• c: 23.6196 ± 0.0007 Å
• α: 90°
• β: 109.663 ± 0.002°
• γ: 90°
• Cell volume: 7051.2 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0684
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No