Information card for entry 4084716

Structure parameters

• Formula: C37 H61 B N2 O2 Sm
• Calculated formula: C37 H61 B N2 O2 Sm
• 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: 8.7602 ± 0.0003 Å
• b: 12.3497 ± 0.0004 Å
• c: 17.833 ± 0.0006 Å
• α: 76.521 ± 0.003°
• β: 84.648 ± 0.003°
• γ: 85.551 ± 0.003°
• Cell volume: 1864.85 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0341
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No