Information card for entry 4316383

Structure parameters

• Formula: C57 H70 Cu F6 O P5
• Calculated formula: C57 H70 Cu F6 O 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: 12.173 ± 0.0003 Å
• b: 17.3557 ± 0.0004 Å
• c: 12.9747 ± 0.0003 Å
• α: 90°
• β: 103.361 ± 0.001°
• γ: 90°
• Cell volume: 2666.98 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No