Information card for entry 4316390

Structure parameters

• Formula: C57 H51 Cu F6 P4
• Calculated formula: C57 H51 Cu F6 P4
• SMILES: [Cu]([P](c1ccccc1)(c1ccccc1)Cc1ccccc1)([P](c1ccccc1)(c1ccccc1)Cc1ccccc1)[P](c1ccccc1)(c1ccccc1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 28.713 ± 0.003 Å
• b: 10.2867 ± 0.001 Å
• c: 16.8039 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4963.2 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No