Information card for entry 7705174

Structure parameters

• Common name: [Cu(Py(O=C-N)2(PhMe2)2(EDA)]
• Formula: C25 H29 Cu N5 O2
• Calculated formula: C25 H29 Cu N5 O2
• SMILES: [Cu]123(N(C(=O)c4cccc(C(=O)N2c2c(cccc2C)C)[n]14)c1c(cccc1C)C)[NH2]CC[NH2]3
• 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: 23.87663 ± 0.00017 Å
• b: 23.87663 ± 0.00017 Å
• c: 7.93792 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4525.36 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No