Information card for entry 7107560

Structure parameters

• Chemical name: Et2PHCuIphen
• Formula: C16 H19 Cu I N2 P
• Calculated formula: C16 H19 Cu I N2 P
• SMILES: I[Cu]1([PH](CC)CC)[n]2c3c(ccc4ccc[n]1c34)ccc2
• Title of publication: Neutral copper-phosphido-borane complexes: Synthesis, characterization, and catalytic activity in Csp-P bond formation
• Authors of publication: Ibrahim Abdellah; Elise Bernoud; Jean-Francois Lohier; Carole Alayrac; Loic Toupet; Christine Lepetit; Annie-Claude Gaumont
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4088
• a: 7.63 ± 0.004 Å
• b: 15.462 ± 0.009 Å
• c: 14.75 ± 0.008 Å
• α: 90°
• β: 91.94 ± 0.04°
• γ: 90°
• Cell volume: 1739.1 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No