Information card for entry 1512738

Structure parameters

• Common name: Me2salF4
• Formula: C22 H22 F4 N2 O2
• Calculated formula: C22 H22 F4 N2 O2
• SMILES: Fc1c(O)c(/C(=N/[C@H]2[C@H](/N=C(c3c(O)c(F)cc(F)c3)\C)CCCC2)C)cc(F)c1
• Title of publication: Redox chemistry of copper complexes with various salen type ligands
• Authors of publication: Katharina Butsch; Thomas Gunther; Axel Klein; Kathrin Stirnat; Albrecht Berkessel; Jorg Neudorfl
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 237 - 246
• a: 10.8776 ± 0.0007 Å
• b: 13.7904 ± 0.0008 Å
• c: 27.529 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4129.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No