Information card for entry 1552098

Structure parameters

• Formula: C60.39 H59.39 O0.39 P3 Pd
• Calculated formula: C60.391 H59.391 O0.391 P3 Pd
• Title of publication: The ubiquitous cross-coupling catalyst system ‘Pd(OAc)2’/2PPh3 forms a unique dinuclear PdI complex: an important entry point into catalytically competent cyclic Pd3 clusters
• Authors of publication: Scott, Neil W. J.; Ford, Mark J.; Schotes, Christoph; Parker, Rachel R.; Whitwood, Adrian C.; Fairlamb, Ian J. S.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.5043 ± 0.0004 Å
• b: 13.6723 ± 0.0004 Å
• c: 14.3402 ± 0.0004 Å
• α: 92.507 ± 0.002°
• β: 111.038 ± 0.002°
• γ: 96.346 ± 0.002°
• Cell volume: 2446.12 ± 0.13 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No