Information card for entry 4064164

Structure parameters

• Chemical name: In(N2Ts_py)(Cl)(OiPr){Li(THF)}
• Formula: C33 H47 Cl In Li N4 O6.5 S2
• Calculated formula: C33 H47 Cl In Li N4 O6.5 S2
• 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: 9.8821 ± 0.0002 Å
• b: 21.2373 ± 0.0005 Å
• c: 19.0422 ± 0.0005 Å
• α: 90°
• β: 100.056 ± 0.0009°
• γ: 90°
• Cell volume: 3934.97 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.133
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1437
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No