Information card for entry 4319652

Structure parameters

• Formula: C126 H102 O14 P6 Pd12
• Calculated formula: C126 H102 O14 P6 Pd12
• 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: 14.1712 ± 0.0001 Å
• b: 23.8035 ± 0.0002 Å
• c: 18.8776 ± 0.0001 Å
• α: 90°
• β: 109.863 ± 0.001°
• γ: 90°
• Cell volume: 5989.03 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.0948
• Goodness-of-fit parameter for all reflections: 0.936
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No