Information card for entry 4066550

Structure parameters

• Chemical name: Sm(O2N_OMe)(BH4)(THF) . 0.25(C5H12)
• Formula: C38.25 H66 B N O4 Sm
• Calculated formula: C38.25 H66 B N O4 Sm
• Title of publication: Ring-Opening Polymerization ofrac-Lactide by Bis(phenolate)amine-Supported Samarium Borohydride Complexes: An Experimental and DFT Study
• Authors of publication: Dyer, Hellen E.; Huijser, Saskia; Susperregui, Nicolas; Bonnet, Fanny; Schwarz, Andrew D.; Duchateau, Robbert; Maron, Laurent; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 16
• Pages of publication: 3602
• a: 14.8177 ± 0.0002 Å
• b: 27.179 ± 0.0004 Å
• c: 23.598 ± 0.0003 Å
• α: 90°
• β: 100.298 ± 0.0006°
• γ: 90°
• Cell volume: 9350.5 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No