Information card for entry 7711594

Structure parameters

• Formula: C54 H68 Cl2 Cu4 N6
• Calculated formula: C54 H68 Cl2 Cu4 N6
• SMILES: [Cu]12345[Cu]6789[Cu]%10%11%121([Cu]126([Cl]7%10)([Cl]3%11)[N]2(CCn3c6ccccc6c(C=[N]4c4c(cccc4C(C)C)C(C)C)[c]913)CCCC2)[N]1(CCn2c3ccccc3c(C=[N]8c3c(cccc3C(C)C)C(C)C)[c]5%122)CCCC1
• Title of publication: Halide-Bridged Tetranuclear Organocopper(I) Clusters Supported by the Indolyl-based NCN Pincer Ligands and Their Catalytic Activities towards Hydrophosphination of Alkenes
• Authors of publication: Yuan, Qingbing; Huang, Zeming; Wu, weikang; Hong, Dongjing; Zhu, Shan; Wei, Jieding; Zhou, Shuangliu; Wang, Shaowu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.697 ± 0.004 Å
• b: 20.986 ± 0.006 Å
• c: 23.21 ± 0.007 Å
• α: 90°
• β: 103.848 ± 0.004°
• γ: 90°
• Cell volume: 6005 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1642
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.2565
• Weighted residual factors for all reflections included in the refinement: 0.302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No