Information card for entry 7027757

Structure parameters

• Formula: C43 H44 Cl2 O2 P2 Pd S
• Calculated formula: C43 H44 Cl2 O2 P2 Pd S
• SMILES: [Pd]([P](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)([P](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)[S](=O)=O.C(Cl)Cl
• Title of publication: Reactivity of the palladium dimer [Pd2(μ-SO2)(μ-dba)(PBz3)2]. Syntheses and structural characterisation of [Pd3(μ-SO2)3(PBz3)3], [Pd2(μ-SO2)(μ-dppm)(PBz3)2], [Pd(SO2)(PBz3)2], [Pd3(μ-CO)2(μ-SO2)(PBz3)3] and [Pd3(μ-SO2)2(CNBut )2(PBz3)3] (Bz = benzyl) †
• Authors of publication: Arifhodzic-Radojevic, Sanja; Burrows, Andrew D.; Choi, Nick; McPartlin, Mary; Mingos, D. Michael P.; Tarlton, Stephen V.; Vilar, Ramón
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 3981
• a: 9.931 ± 0.003 Å
• b: 11.331 ± 0.002 Å
• c: 19.275 ± 0.004 Å
• α: 84.427 ± 0.012°
• β: 87.305 ± 0.016°
• γ: 64.216 ± 0.014°
• Cell volume: 1943.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2234
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No