Information card for entry 1546067

Structure parameters

• Formula: C52 H49 B Cu F4 N3 O2 P2
• Calculated formula: C52 H49 B Cu F4 N3 O2 P2
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1ccccc1C=[N]2c1ccc(N)cc1.[B](F)(F)(F)[F-].O(CC)CC
• 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: 12.3268 ± 0.0003 Å
• b: 21.2128 ± 0.0005 Å
• c: 19.3122 ± 0.0005 Å
• α: 90°
• β: 104.764 ± 0.003°
• γ: 90°
• Cell volume: 4883.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No