Information card for entry 4339106

Structure parameters

• Formula: C18 H18 Cl Cu N4
• Calculated formula: C18 H18 Cl Cu N4
• SMILES: [Cu]123([n]4c(C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)cccc4)Cl
• Title of publication: Atom transfer radical addition in the presence of catalytic amounts of copper(I/II) complexes with tris(2-pyridylmethyl)amine.
• Authors of publication: Eckenhoff, William T.; Pintauer, Tomislav
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5844 - 5846
• a: 24.8433 ± 0.0008 Å
• b: 12.9735 ± 0.0004 Å
• c: 12.593 ± 0.0004 Å
• α: 90°
• β: 114.14°
• γ: 90°
• Cell volume: 3703.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No