Information card for entry 4067907

Structure parameters

• Formula: C15 H17 F12 In N2 O2
• Calculated formula: C15 H17 F12 In N2 O2
• SMILES: [In]123(C)OC(C(F)(F)F)(C(F)(F)F)CC(=[N]1CC[N]3=C(CC(O2)(C(F)(F)F)C(F)(F)F)C)C
• Title of publication: Indium Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands for Ring-Opening Polymerization ofrac-Lactide: How Does Indium Compare to Aluminum?
• Authors of publication: Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1448
• a: 9.6307 ± 0.0012 Å
• b: 17.162 ± 0.002 Å
• c: 13.0256 ± 0.0015 Å
• α: 90°
• β: 105.311 ± 0.004°
• γ: 90°
• Cell volume: 2076.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No