Information card for entry 1572928

Structure parameters

• Formula: C63 H60 B2 F O5 P3 Pd4
• Calculated formula: C63 H60 B2 F O5 P3 Pd4
• 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: 15.0801 ± 0.0003 Å
• b: 15.0825 ± 0.0003 Å
• c: 16.2726 ± 0.0002 Å
• α: 79.726 ± 0.001°
• β: 74.132 ± 0.001°
• γ: 63.091 ± 0.002°
• Cell volume: 3168.19 ± 0.11 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 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: 0.0469
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No