Information card for entry 7012288

Structure parameters

• Common name: acetonyltriphenylphosphonium-hexachlorodipalladate(ii)
• Chemical name: acetonyltriphenylphosphonium-hexachlorodipalladate(II)
• Formula: C42 H40 Cl6 O2 P2 Pd2
• Calculated formula: C42 H40 Cl6 O2 P2 Pd2
• SMILES: C(C(=O)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Pd]1(Cl)[Cl][Pd](Cl)(Cl)[Cl]1.C(C(=O)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium(ii) salts containing [PdCl4]2‒ and [Pd2Cl6]2‒ ions as pre-catalysts for the vinyl-polymerization of norbornene—evidence for the in situ formation of PdCl2 as the active speciesElectronic supplementary information (ESI) available: full 1H, 13C, 19F and 31P NMR and IR data of compounds 2C, 6 and 7 in combination with different amounts of B(C6F5). See http://www.rsc.org/suppdata/dt/b2/b209633a/
• Authors of publication: Lassahn, Paul-Gerhard; Lozan, Vasile; Janiak, Christoph
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 927
• a: 9.7372 ± 0.0011 Å
• b: 21.764 ± 0.002 Å
• c: 11.807 ± 0.001 Å
• α: 90°
• β: 119.088 ± 0.007°
• γ: 90°
• Cell volume: 2186.6 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.13
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No