Information card for entry 4083699

Structure parameters

• Formula: C64 H44 F24 Li N4 O4 Y
• Calculated formula: C64 H44 F24 Li N4 O4 Y
• SMILES: [Y]1234(OC(C(F)(F)F)(C(F)(F)F)CC(C)=[N]1c1ccc5ccccc5c1c1c5ccccc5ccc1[N]2=C(C)CC(C(F)(F)F)(C(F)(F)F)O3)[O]1C2(C(F)(F)F)C(F)([F][Li]3561[N](=C(C2)C)c1ccc2ccccc2c1c1c2ccccc2ccc1[N]3=C(C)CC(C([F]6)(F)F)(C(F)(F)F)[O]45)F
• Title of publication: Aluminum, Indium, and Mixed Yttrium‒Lithium Complexes Supported by a Chiral Binap-Based Fluorinated Dialkoxide: Structural Features and Heteroselective ROP of Lactide
• Authors of publication: Maudoux, Nicolas; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5740
• a: 14.3712 ± 0.0006 Å
• b: 15.1053 ± 0.0006 Å
• c: 14.8377 ± 0.0006 Å
• α: 90°
• β: 103.29 ± 0.002°
• γ: 90°
• Cell volume: 3134.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No