Information card for entry 4319651

Structure parameters

• Formula: C154.78 H124.85 N2 Ni4 O24.28 P6 Pd16
• Calculated formula: C154.85 H125 N2 Ni4 O24.3 P6 Pd16
• 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: 18.5409 ± 0.0004 Å
• b: 28.0697 ± 0.0006 Å
• c: 30.2282 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15731.9 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections: 0.1498
• Weighted residual factors for significantly intense reflections: 0.1406
• Goodness-of-fit parameter for all reflections: 1.102
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No