Information card for entry 4319650

Structure parameters

• Formula: C265.5 H209 N3 Ni9 O46 P10 Pd33
• Calculated formula: C265.5 H209 N3 Ni9 O46 P10 Pd33
• Title of publication: High-Nuclearity Close-Packed Palladium-Nickel Carbonyl Phosphine Clusters: Heteropalladium [Pd16Ni4(CO)22(PPh3)4]2- and [Pd33Ni9(CO)41(PPh3)6]4- Containing Pseudo-Tdccp Pd16Ni4 and Pseudo-D3 hhcp Pd33Ni9 Cores
• Authors of publication: Masaki Kawano; Jeffrey W. Bacon; Charles F. Campana; Brian E. Winger; James D. Dudek; Scott A. Sirchio; Sabrina L. Scruggs; Urs Geiser; Lawrence F. Dahl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2554 - 2569
• a: 22.761 ± 0.002 Å
• b: 29.584 ± 0.002 Å
• c: 40.844 ± 0.003 Å
• α: 90°
• β: 102.213 ± 0.003°
• γ: 90°
• Cell volume: 26880 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1193
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections: 0.1714
• Weighted residual factors for significantly intense reflections: 0.1536
• Goodness-of-fit parameter for all reflections: 1.288
• Goodness-of-fit parameter for significantly intense reflections: 1.389
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No