Information card for entry 4342911

Structure parameters

• Common name: Palladium Carbonyl Phosphine Carbido Cluster
• Formula: C86 H161 O28 P14 Pd36
• Calculated formula: C86 H161 O28 P14 Pd36
• Title of publication: Nanosized {Pd4(μ4-C)}Pd32(CO)28(PMe3)14 Containing Tetrahedrally Deformed Pd4 Cage with Encapsulated Carbide Atom: Formal Substitution of Geometrically Analogous Interior Au4 Entity in Isostructural Au4Pd32(CO)28(PMe3)14 by Electronically Equivalent Pd4(μ4-C) and Computational/Catalytic Implications.
• Authors of publication: Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6157 - 6168
• a: 16.0206 ± 0.0011 Å
• b: 17.7225 ± 0.0012 Å
• c: 27.606 ± 0.0019 Å
• α: 82.698 ± 0.001°
• β: 75.289 ± 0.001°
• γ: 83.801 ± 0.001°
• Cell volume: 7496.2 ± 0.9 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: 0.1051
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No