Information card for entry 4067908

Structure parameters

• Formula: C20 H26 F12 In Li N2 O2
• Calculated formula: C20 H26 F12 In Li N2 O2
• SMILES: [C@H]12[C@@H](CCCC1)[N]1=C(CC(C(F)(F)F)(C(F)(F)F)[O]3[In](C)(C)[O]([Li]134)C(C(F)(F)F)(C(F)(F)F)CC(=[N]24)C)C.[C@@H]12[C@H](CCCC1)[N]1=C(CC(C(F)(F)F)(C(F)(F)F)[O]3[In](C)(C)[O]([Li]134)C(C(F)(F)F)(C(F)(F)F)CC(=[N]24)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: 11.7277 ± 0.0012 Å
• b: 20.942 ± 0.002 Å
• c: 11.5897 ± 0.0012 Å
• α: 90°
• β: 115.141 ± 0.004°
• γ: 90°
• Cell volume: 2576.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.68
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No