Information card for entry 7705173

Structure parameters

• Common name: [Cu(NNN-pincer)-DMF]
• Formula: C26 H28 Cu N4 O3
• Calculated formula: C26 H28 Cu N4 O3
• SMILES: [Cu]12([O]=CN(C)C)N(C(=O)c3[n]1c(ccc3)C(=O)N2c1c(cccc1C)C)c1c(cccc1C)C
• 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: 15.3269 ± 0.0003 Å
• b: 13.8051 ± 0.0002 Å
• c: 11.6358 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2462.01 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No