Information card for entry 4516672

Structure parameters

• Formula: C42 H28 Cl10 N4 O6 P2 Pd2
• Calculated formula: C42 H28 Cl10 N4 O6 P2 Pd2
• 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: 10.5194 ± 0.0005 Å
• b: 11.305 ± 0.0006 Å
• c: 12.8486 ± 0.0006 Å
• α: 64.026 ± 0.005°
• β: 86.154 ± 0.004°
• γ: 63.035 ± 0.005°
• Cell volume: 1207.7 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No