Information card for entry 4072494

Structure parameters

• Formula: C40 H46 Cu2 I2 N10
• Calculated formula: C40 H46 Cu2 I2 N10
• SMILES: c12cccc[n]2[Cu]23[N](=C1)[C@@H]1CCCC[C@H]1[N]1=Cc4cccc[n]4[Cu]41[n]1c(cccc1)C=[N]4[C@H]1CCCC[C@@H]1[N]3=Cc1cccc[n]21.[I-].C(#N)C.[I-].C(#N)C
• Title of publication: Precatalysts Involved in Copper-Catalyzed Arylations of Nucleophiles
• Authors of publication: Ouali, Armelle; Taillefer, Marc; Spindler, Jean-F.; Jutand, Anny
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 65
• a: 16.3661 ± 0.0018 Å
• b: 14.0839 ± 0.001 Å
• c: 19.494 ± 0.002 Å
• α: 90°
• β: 109.278 ± 0.013°
• γ: 90°
• Cell volume: 4241.4 ± 0.8 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections included in the refinement: 0.0333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No