Information card for entry 4516671

Structure parameters

• Formula: C34 H25 B Cu F4 N4 O3 P
• Calculated formula: C34 H25 B Cu F4 N4 O3 P
• Title of publication: [Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions
• Authors of publication: Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 5186
• a: 12.5021 ± 0.0003 Å
• b: 13.6073 ± 0.0003 Å
• c: 19.1227 ± 0.0004 Å
• α: 90°
• β: 108.373 ± 0.002°
• γ: 90°
• Cell volume: 3087.32 ± 0.12 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 8
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No