Information card for entry 4064166

Structure parameters

• Chemical name: In(O2N_py)CH2SiMe3
• Formula: C28 H37 In N2 O2 Si
• Calculated formula: C28 H37 In N2 O2 Si
• SMILES: [In]123(Oc4c(C[N]2(Cc2cc(cc(c2O1)C)C)Cc1[n]3cccc1)cc(cc4C)C)C[Si](C)(C)C
• Title of publication: Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide
• Authors of publication: Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1202
• a: 30.138 ± 0.004 Å
• b: 30.138 ± 0.004 Å
• c: 17.795 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13998 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections included in the refinement: 0.0293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No