Information card for entry 4330938

Structure parameters

• Common name: [Cu(TDAPA)CH3CN][ClO4]
• Formula: C26 H33 Cl Cu N5 O4
• Calculated formula: C26 H33 Cl Cu N5 O4
• SMILES: [Cu]123([N](c4c([N]2(C)C)cccc4)(c2c([N]3(C)C)cccc2)c2c([N]1(C)C)cccc2)[N]#CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Kinetic and Mechanistic Aspects of Atom Transfer Radical Addition (ATRA) Catalyzed by Copper Complexes with Tris(2-pyridylmethyl)amine
• Authors of publication: William T. Eckenhoff; Ashley B. Biernesser; Tomislav Pintauer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11917 - 11929
• a: 14.2806 ± 0.0003 Å
• b: 17.6277 ± 0.0003 Å
• c: 23.2185 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5844.89 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.2361
• Weighted residual factors for all reflections included in the refinement: 0.2596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No