Information card for entry 4067905

Structure parameters

• Formula: C14 H15 F12 K2 N2 O2.5
• Calculated formula: C14 H15 F12 K2 N2 O2.5
• SMILES: [K+].[K+].N(=C(C)\CC(C(F)(F)F)(C(F)(F)F)[O-])/CC/N=C(C)/CC(C(F)(F)F)(C(F)(F)F)[O-].O
• 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: 11.8726 ± 0.0004 Å
• b: 16.8581 ± 0.0005 Å
• c: 22.9945 ± 0.0008 Å
• α: 90°
• β: 98.302 ± 0.002°
• γ: 90°
• Cell volume: 4554.1 ± 0.3 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: 0.0784
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No