Information card for entry 4067909

Structure parameters

• Formula: C22 H31 F12 In N2 O2 Si
• Calculated formula: C22 H31 F12 In N2 O2 Si
• SMILES: [In]123(OC(C(F)(F)F)(C(F)(F)F)CC(=[N]1[C@@H]1CCCC[C@H]1[N]2=C(C)CC(O3)(C(F)(F)F)C(F)(F)F)C)C[Si](C)(C)C.[In]123(OC(C(F)(F)F)(C(F)(F)F)CC(=[N]1[C@H]1CCCC[C@@H]1[N]2=C(C)CC(O3)(C(F)(F)F)C(F)(F)F)C)C[Si](C)(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: 18.422 ± 0.004 Å
• b: 9.396 ± 0.002 Å
• c: 18.534 ± 0.004 Å
• α: 90°
• β: 116.506 ± 0.008°
• γ: 90°
• Cell volume: 2870.9 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No