Information card for entry 7007177

Structure parameters

• Formula: C67 H74 Cl2 F12 O10 P6 Pd
• Calculated formula: C67 H74 Cl2 F12 O10 P6 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](C2C3[P+](C[P+](C2C3[P]1(c1c(cccc1)OC)c1c(cccc1)OC)(c1c(cccc1)OC)c1c(cccc1)OC)(c1c(cccc1)OC)c1c(cccc1)OC)(c1c(cccc1)OC)c1c(cccc1)OC.CC(=O)C.CC(=O)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 14.3205 ± 0.0002 Å
• b: 20.4675 ± 0.0003 Å
• c: 24.5985 ± 0.0003 Å
• α: 90°
• β: 91.8346 ± 0.0009°
• γ: 90°
• Cell volume: 7206.24 ± 0.17 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No