Information card for entry 7131731

Structure parameters

• Formula: C37 H42 Cl2 Cu2 F12 N8 O2 P2
• Calculated formula: C37 H42 Cl2 Cu2 F12 N8 O2 P2
• SMILES: [Cu]1234[Cu]5([N]6(CCOCC6)CCN6C35N(c3[n]2cccc3)c2c6cccc2)[n]2c(N3C=4N(c4c3cccc4)CC[N]31CCOCC3)cccc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Hydroarylation of alkynes <i>via</i> dual <i>ortho</i>-C-H functionalization of diaryl amines on a dicopper(I,I) platform.
• Authors of publication: Pal, Nilay Kumar; Patra, Moumita; Pandey, Prabhakar K.; Bera, Jitendra K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 52
• Pages of publication: 8079 - 8082
• a: 11.014 ± 0.001 Å
• b: 14.2677 ± 0.0014 Å
• c: 15.3705 ± 0.0014 Å
• α: 84.99 ± 0.003°
• β: 75.303 ± 0.002°
• γ: 67.883 ± 0.002°
• Cell volume: 2164.4 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No