Information card for entry 4084712

Structure parameters

• Formula: C33 H57 B2 N2 O Sm
• Calculated formula: C33 H57 B2 N2 O 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: 30.579 ± 0.006 Å
• b: 10.445 ± 0.002 Å
• c: 23.642 ± 0.005 Å
• α: 90°
• β: 110.19 ± 0.03°
• γ: 90°
• Cell volume: 7087 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0287
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No