Information card for entry 4330941

Structure parameters

• Common name: [Cu(PPh3)3(PPh3)][BPh4]
• Formula: C99 H86 B Cu O P4
• Calculated formula: C99 H86 B Cu O P4
• 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: 14.8893 ± 0.0006 Å
• b: 15.7278 ± 0.0006 Å
• c: 16.8133 ± 0.0006 Å
• α: 91.395 ± 0.002°
• β: 91.568 ± 0.003°
• γ: 90.929 ± 0.002°
• Cell volume: 3934.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No