Information card for entry 7107562

Structure parameters

• Chemical name: Et2PHCuPPh2BH3phen
• Formula: C28 H32 B Cu N2 P2
• Calculated formula: C28 H32 B Cu N2 P2
• SMILES: [Cu]1([P]([BH3])(c2ccccc2)c2ccccc2)([PH](CC)CC)[n]2c3c(ccc2)ccc2c3[n]1ccc2
• 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: 27.1263 ± 0.0005 Å
• b: 13.9139 ± 0.0003 Å
• c: 16.8585 ± 0.0003 Å
• α: 90°
• β: 114.852 ± 0.001°
• γ: 90°
• Cell volume: 5773.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No