Information card for entry 4308840

Structure parameters

• Formula: C35 H46 Cl4 N4 P2 Pd
• Calculated formula: C35 H46 Cl4 N4 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](CC[P]1(c1ccccc1N(C)C)c1ccccc1N(C)C)(c1ccccc1N(C)C)c1ccccc1N(C)C.ClCCl
• Title of publication: Platinum(II) and Palladium(II) Complexes of Bisphosphine Ligands Bearing o-N,N-Dimethylanilinyl Substituents: A Hint of Catalytic Olefin Hydration
• Authors of publication: Nathan D. Jones; Patric Meessen; Udo Losehand; Brian O. Patrick; Brian R. James
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3290 - 3298
• a: 12.301 ± 0.0003 Å
• b: 11.8069 ± 0.0003 Å
• c: 12.9733 ± 0.0004 Å
• α: 90°
• β: 94.607 ± 0.002°
• γ: 90°
• Cell volume: 1878.11 ± 0.09 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No