Information card for entry 4319653

Structure parameters

• Formula: C208 H154 N3 Ni0 O28 P9 Pd29
• Calculated formula: C208 H154 N3 O28 P9 Pd29
• 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: 20.5934 ± 0.0001 Å
• b: 21.0563 ± 0.0003 Å
• c: 28.3899 ± 0.0004 Å
• α: 82.367 ± 0.001°
• β: 79.8 ± 0.001°
• γ: 67.029 ± 0.001°
• Cell volume: 11127.5 ± 0.2 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 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: 0.145
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections: 0.2792
• Weighted residual factors for significantly intense reflections: 0.2404
• Goodness-of-fit parameter for all reflections: 1.111
• Goodness-of-fit parameter for significantly intense reflections: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No