Information card for entry 4066553

Structure parameters

• Chemical name: Sm(O2N_OMe){N(SiHMe2)2}(THF)
• Formula: C46 H85 N2 O4 Si2 Sm
• Calculated formula: C46 H84 N2 O4 Si2 Sm
• SMILES: [Sm]123([O](CC[N]3(Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)C)([O]1CCCC1)N([SiH](C)C)[SiH](C)C.CCCCC
• 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: 11.238 ± 0.0002 Å
• b: 15.4597 ± 0.0003 Å
• c: 15.922 ± 0.0003 Å
• α: 98.7826 ± 0.0011°
• β: 98.6551 ± 0.0011°
• γ: 101.729 ± 0.0008°
• Cell volume: 2629.19 ± 0.09 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: 0.0554
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No