Information card for entry 4108606

Structure parameters

• Common name: Palladium Carbonyl Phosphine cluster
• Formula: C302 H302 O29 P12 Pd37.05
• Calculated formula: C302 H302 O29 P12 Pd37.05
• Title of publication: Nanosized Pd37(CO)28{P(p-Tolyl)3}12 Containing Geometrically Unprecedented Central 23-Atom Interpenetrating Tri-icosahedral Palladium Kernel of Double Icosahedral Units: Its Postulated Metal-Core Evolution and Resulting Stereochemical Implications
• Authors of publication: Evgueni G. Mednikov; Lawrence F. Dahl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14813 - 14821
• a: 20.6439 ± 0.0005 Å
• b: 22.0806 ± 0.0005 Å
• c: 36.0579 ± 0.0008 Å
• α: 96.8°
• β: 90.34°
• γ: 114.67°
• Cell volume: 14803.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0652
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No