Information card for entry 7012869

Structure parameters

• Formula: C94 H97 N O5 P4 Pd4 S3
• Calculated formula: C94 H97 N O5 P4 Pd4 S3
• Title of publication: Synthesis and structural characterisation of the palladium cluster compounds [Pd3(μ-SO2)2(μ-PPh2py)2(PBz3)2] and [Pd4(μ-SO2)2(μ3-S)(CNR)(PBz3)4] (R =tBu, 2,6-dimethylphenyl and cyclohexyl)
• Authors of publication: Anna M. Williamson; Gareth R. Owen; D. Michael P. Mingos; Ramón Vilar; Andrew J. P. White; David J. Williams
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2526 - 2532
• a: 15.8551 ± 0.0008 Å
• b: 16.7489 ± 0.0009 Å
• c: 18.9814 ± 0.0008 Å
• α: 83.375 ± 0.005°
• β: 67.888 ± 0.005°
• γ: 72.737 ± 0.007°
• Cell volume: 4459.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1714
• Residual factor for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections: 0.3408
• Weighted residual factors for significantly intense reflections: 0.3034
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No