Information card for entry 7027755

Structure parameters

• Formula: C63 H63 O6 P3 Pd3 S3
• Calculated formula: C63 H63 O6 P3 Pd3 S3
• SMILES: [Pd]123([P](Cc4ccccc4)(Cc4ccccc4)Cc4ccccc4)S(=O)(=O)[Pd]43([P](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)S(=O)(=O)[Pd]24([P](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)S1(=O)=O
• 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: 24.985 ± 0.002 Å
• b: 24.985 ± 0.002 Å
• c: 16.219 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8768.3 ± 1.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No