Information card for entry 4130037

Structure parameters

• Common name: Palladium Carbonyl Phosphine Cluster
• Formula: C150 H296 O25.5 P12 Pd55
• Calculated formula: C150 H296 O25.5 P12 Pd55
• Title of publication: Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo-Ih Symmetry, Pd55L12(μ3-CO)20 (L = PR3, R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd145, Pt-Centered Four-Shell Pd-Pt M165, and Four-Shell Au133 Nanoclusters.
• Authors of publication: Erickson, Jeremiah D.; Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 5
• Pages of publication: 1502 - 1505
• a: 31.0979 ± 0.0007 Å
• b: 20.9092 ± 0.0005 Å
• c: 32.2003 ± 0.0007 Å
• α: 90°
• β: 98.199 ± 0.001°
• γ: 90°
• Cell volume: 20723.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No