Information card for entry 4319897

Structure parameters

• Formula: C43 H39 B Cl2 F4 O P2 Pd
• Calculated formula: C43 H39 B Cl2 F4 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: 9.153 ± 0.0015 Å
• b: 18.0851 ± 0.0009 Å
• c: 12.6484 ± 0.0008 Å
• α: 90°
• β: 105.409 ± 0.009°
• γ: 90°
• Cell volume: 2018.5 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for all reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections: 1.002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No