Information card for entry 7007176

Structure parameters

• Formula: C33 H38 Cl2 O4 P2 Pd
• Calculated formula: C33 H38 Cl2 O4 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2OC)(c2ccccc2OC)[C@@H](C)C[C@@H]([P]1(c1ccccc1OC)c1ccccc1OC)C
• Title of publication: Synthesis and characterization of palladium(II) complexes with new diphosphonium-diphosphine and diphosphine ligands. Production of low molecular weight alternating polyketones via catalytic CO/ethene copolymerisation.
• Authors of publication: Bianchini, Claudio; Brüggeller, Peter; Claver, Carmen; Czermak, Georg; Dumfort, Alexander; Meli, Andrea; Oberhauser, Werner; Garcia Suarez, Eduardo J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 24
• Pages of publication: 2964 - 2973
• a: 10.6259 ± 0.0007 Å
• b: 13.6492 ± 0.0011 Å
• c: 11.9265 ± 0.0009 Å
• α: 90°
• β: 107.937 ± 0.007°
• γ: 90°
• Cell volume: 1645.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1015
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No