Information card for entry 1546066

Structure parameters

• Formula: C25 H24 B Cl2 Cu F4 N6
• Calculated formula: C25 H24 B Cl2 Cu F4 N6
• SMILES: [Cu]12([n]3ccccc3C=[N]1c1ccc(N)cc1)[n]1ccccc1C=[N]2c1ccc(N)cc1.[B](F)(F)(F)[F-].ClCCl
• Title of publication: New copper (I) complex based initiating systems in redox polymerization and comparison with amine/benzoyl peroxide reference
• Authors of publication: Lalevée, Jacques; Dietlin, Céline; Morlet-Savary, Fabrice; Fouassier, Jean Pierre; Gigmes, Didier; Dumur, Frederic; Kermagoret, Anthony; Garra, Patxi; Mousawi, Assi
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• a: 11.15632 ± 0.00015 Å
• b: 11.63305 ± 0.00016 Å
• c: 22.483 ± 0.0003 Å
• α: 90°
• β: 102.758 ± 0.0013°
• γ: 90°
• Cell volume: 2845.85 ± 0.07 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No