Information card for entry 4064165

Structure parameters

• Chemical name: In(N2Ts_py)Cl(py)
• Formula: C29 H33 Cl In N5 O4 S2
• Calculated formula: C29 H33 Cl In N5 O4 S2
• SMILES: [In]123(Cl)(N(S(=O)(=O)c4ccc(cc4)C)CC[N]2(CCN1S(=O)(=O)c1ccc(cc1)C)Cc1[n]3cccc1)[n]1ccccc1
• 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: 10.232 ± 0.002 Å
• b: 12.396 ± 0.003 Å
• c: 24.448 ± 0.005 Å
• α: 90°
• β: 101.69 ± 0.03°
• γ: 90°
• Cell volume: 3036.6 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No