Information card for entry 7705178

Structure parameters

• Common name: [Cu2(NNN-pincer)2] (Et4N)2 MeCN
• Formula: C64 H85 Cu2 N9 O4
• Calculated formula: C64 H85 Cu2 N9 O4
• SMILES: [Cu]12[Cu]34([n]5c(C(=O)N1c1c(cccc1C)C)cccc5C(=O)N3c1c(cccc1C)C)[n]1c(C(=O)N2c2c(cccc2C)C)cccc1C(=O)N4c1c(cccc1C)C.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
• Title of publication: Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.
• Authors of publication: Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 35
• Pages of publication: 12189 - 12196
• a: 14.36064 ± 0.00014 Å
• b: 16.83191 ± 0.00016 Å
• c: 25.6876 ± 0.0003 Å
• α: 90°
• β: 105.827 ± 0.0011°
• γ: 90°
• Cell volume: 5973.73 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No