Information card for entry 4076306

Structure parameters

• Chemical name: PdC60Ph5metallyl
• Formula: C94.25 H32 Pd S0.5
• Calculated formula: C94.25 H32 Pd S0.5
• Title of publication: Nickel, Palladium, and Platinum Complexes of η5-Cyclopentadienide C60R5Ligands. Kinetic and Thermodynamic Stabilization Effects of the C60Ph5Ligand
• Authors of publication: Kuninobu, Yoichiro; Matsuo, Yutaka; Toganoh, Motoki; Sawamura, Masaya; Nakamura, Eiichi
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 13
• Pages of publication: 3259
• a: 13.415 ± 0.0011 Å
• b: 21.37 ± 0.0012 Å
• c: 21.159 ± 0.0016 Å
• α: 65.206 ± 0.003°
• β: 80.338 ± 0.003°
• γ: 78.855 ± 0.004°
• Cell volume: 5377.1 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No