Information card for entry 4316386

Structure parameters

• Formula: C61.5 H59 Cl3 Cu F6 P5
• Calculated formula: C61.5 H59 Cl3 Cu F6 P5
• Title of publication: Synthesis and Structure of Intermediates in Copper-Catalyzed Alkylation of Diphenylphosphine
• Authors of publication: Matthew F. Cain; Russell P. Hughes; David S. Glueck; James A. Golen; Curtis E. Moore; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7650 - 7662
• a: 16.0842 ± 0.0007 Å
• b: 16.912 ± 0.0007 Å
• c: 21.1911 ± 0.0009 Å
• α: 90°
• β: 92.301 ± 0.003°
• γ: 90°
• Cell volume: 5759.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No