Information card for entry 4065654

Structure parameters

• Formula: C46 H70 B F4 P3 Pd
• Calculated formula: C46 H70 B F4 P3 Pd
• SMILES: [PdH]1([P](Cc2ccccc2C[P]1(c1ccccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-]
• Title of publication: Palladium Complexes of the Heterodiphosphineo-C6H4(CH2PtBu2)(CH2PPh2) Are Highly Selective and Robust Catalysts for the Hydromethoxycarbonylation of Ethene
• Authors of publication: Fanjul, Tamara; Eastham, Graham; Fey, Natalie; Hamilton, Alex; Orpen, A. Guy; Pringle, Paul G.; Waugh, Mark
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 2292
• a: 11.6758 ± 0.0002 Å
• b: 12.964 ± 0.0004 Å
• c: 15.5027 ± 0.0003 Å
• α: 88.784 ± 0.001°
• β: 88.417 ± 0.001°
• γ: 76.879 ± 0.001°
• Cell volume: 2284.16 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No