Information card for entry 7118378

Structure parameters

• Chemical name: [Cu(DMAP)4I]I
• Formula: C28 H40 Cu I2 N8
• Calculated formula: C28 H40 Cu I2 N8
• SMILES: c1cc(cc[n]1[Cu]([n]1ccc(cc1)N(C)C)([n]1ccc(cc1)N(C)C)[n]1ccc(cc1)N(C)C)N(C)C.[I-].[I-]
• Title of publication: A quick Chan-Lam C-N and C-S cross coupling at room temperature in the presence of square pyramidal [Cu(DMAP)4I]I as a catalyst.
• Authors of publication: Roy, Subhasish; Sarma, Manas Jyoti; Kashyap, Bishwapran; Phukan, Prodeep
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1170 - 1173
• a: 18.1909 ± 0.0003 Å
• b: 19.1754 ± 0.0004 Å
• c: 20.759 ± 0.0004 Å
• α: 90°
• β: 112.85 ± 0.001°
• γ: 90°
• Cell volume: 6672.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No