Information card for entry 4066556

Structure parameters

• Chemical name: Sm(O2N_NMe2){N(SiMe3)2}
• Formula: C40 H72 N3 O2 Si2 Sm
• Calculated formula: C40 H72 N3 O2 Si2 Sm
• SMILES: [Sm]123([N](CC[N]1(Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)(C)C)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: 9.1117 ± 0.0001 Å
• b: 11.1189 ± 0.0001 Å
• c: 22.3721 ± 0.0002 Å
• α: 90°
• β: 101.374 ± 0.0005°
• γ: 90°
• Cell volume: 2222.05 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for all reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9528
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No