Information card for entry 4103491

Structure parameters

• Formula: C48 H36 Cu2 N6
• Calculated formula: C48 H36 Cu2 N6
• Title of publication: Cu(I)-Amido Complexes in the Ullmann Reaction: Reactions of Cu(I)-Amido Complexes with Iodoarenes with and without Autocatalysis by CuI
• Authors of publication: Ramesh Giri; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15860 - 15863
• a: 21.7968 ± 0.0012 Å
• b: 13.1593 ± 0.0007 Å
• c: 13.3171 ± 0.0007 Å
• α: 90°
• β: 99.185 ± 0.003°
• γ: 90°
• Cell volume: 3770.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No