Information card for entry 4065652

Structure parameters

• Formula: C29 H38 Cl4 P2 Pt
• Calculated formula: C29 H38 Cl4 P2 Pt
• SMILES: [Pt]1([P](Cc2ccccc2C[P]1(c1ccccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C)(Cl)Cl.ClCCl
• 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: 10.45 ± 0.001 Å
• b: 14.957 ± 0.0013 Å
• c: 10.8664 ± 0.001 Å
• α: 90°
• β: 118.458 ± 0.002°
• γ: 90°
• Cell volume: 1493.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No