Information card for entry 7059987

Structure parameters

• Formula: C36 H30 Cl Cu N3 P
• Calculated formula: C36 H30 Cl Cu N3 P
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)[n]2c(cccc2)N(c2ccccc2)[N]1=Cc1ccccc1
• Title of publication: Cu(i) based catalysts derived from bidentate ligands and studies on the effect of substituents for N-arylation of benzimidazoles and indoles
• Authors of publication: Kumari, Sheela; Ratnam, Anand; Mawai, Kiran; Chaudhary, Virendra Kumar; Mohanty, Aurobinda; Ghosh, Kaushik
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19591 - 19597
• a: 10.2089 ± 0.0003 Å
• b: 10.2089 ± 0.0003 Å
• c: 26.3489 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2378.21 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No