Information card for entry 4319900

Structure parameters

• Formula: C41 H37 B F4 O P2 Pd
• Calculated formula: C41 H37 B F3.996 O P2 Pd
• Title of publication: An X-ray Study of the Effect of the Bite Angle of Chelating Ligands on the Geometry of Palladium(allyl) Complexes: Implications for the Regioselectivity in the Allylic Alkylation
• Authors of publication: Richard J. van Haaren; Kees Goubitz; Jan Fraanje; Gino P. F. van Strijdonck; Henk Oevering; Betty Coussens; Joost N. H. Reek; Paul C. J. Kamer; Piet W. N. M. van Leeuwen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3363 - 3372
• a: 11.822 ± 0.001 Å
• b: 12.519 ± 0.002 Å
• c: 14.435 ± 0.002 Å
• α: 83.84 ± 0.01°
• β: 78.01 ± 0.01°
• γ: 67.568 ± 0.008°
• Cell volume: 1930.7 ± 0.5 ų
• Cell temperature: 253 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections: 0.853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No