Information card for entry 4330940

Structure parameters

• Common name: [Cu(PPh3)3(CH3CN)][ClO4]
• Formula: C59 H54 Cl Cu N O5 P3
• Calculated formula: C59 H54 Cl Cu N O5 P3
• 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: 10.5153 ± 0.0008 Å
• b: 13.4234 ± 0.001 Å
• c: 19.3711 ± 0.0014 Å
• α: 102.774 ± 0.001°
• β: 104.317 ± 0.001°
• γ: 95.262 ± 0.001°
• Cell volume: 2552.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No