Information card for entry 4066555

Structure parameters

• Chemical name: Sm(O2N_py){N(SiMe3)2}(OEt2)
• Formula: C46 H78 N3 O3 Si2 Sm
• Calculated formula: C46 H78 N3 O3 Si2 Sm
• SMILES: [Sm]123(Oc4c(cc(cc4C[N]3(Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)Cc1[n]2cccc1)C(C)(C)C)C(C)(C)C)([O](CC)CC)N([Si](C)(C)C)[Si](C)(C)C
• 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: 11.1971 ± 0.0002 Å
• b: 14.6834 ± 0.0002 Å
• c: 15.6788 ± 0.0003 Å
• α: 97.5854 ± 0.0006°
• β: 98.3658 ± 0.0007°
• γ: 103.118 ± 0.0008°
• Cell volume: 2447.09 ± 0.07 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: 0.0445
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No