Information card for entry 1572929

Structure parameters

• Formula: C94 H104 O6 P5 Pd6
• Calculated formula: C94 H104 O6 P5 Pd6
• Title of publication: The ubiquitous P(<i>o</i>-tol)₃ ligand promotes formation of catalytically-active higher order palladacyclic clusters.
• Authors of publication: Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 18627 - 18633
• a: 15.4929 ± 0.0002 Å
• b: 20.2644 ± 0.0003 Å
• c: 32.5025 ± 0.0005 Å
• α: 75.5537 ± 0.0014°
• β: 85.6199 ± 0.0013°
• γ: 84.3876 ± 0.0013°
• Cell volume: 9820 ± 0.3 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No