Information card for entry 4066554

Structure parameters

• Chemical name: Sm2(O2N_Pr)3(THF)
• Formula: C103 H161 N3 O7 Sm2
• Calculated formula: C103 H161 N3 O7 Sm2
• SMILES: [Sm]123(Oc4c(cc(cc4C[N]3(CCC)Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)([O]1[Sm]345(Oc6c(cc(cc6C[N]4(CCC)Cc4c1c(cc(c4)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[O]2c1c(cc(cc1C[N]5(CCC)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[O]1CCCC1
• 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: 17.6169 ± 0.0001 Å
• b: 39.9745 ± 0.0003 Å
• c: 19.4487 ± 0.0001 Å
• α: 90°
• β: 116.224 ± 0.0004°
• γ: 90°
• Cell volume: 12286.6 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.115
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0612
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No