Information card for entry 7010778

Structure parameters

• Formula: C113 H228 O36.5 P21 Pd59
• Calculated formula: C112.742 H228 O36.242 P21 Pd59.258
• Title of publication: High-nuclearity palladium carbonyl trimethylphosphine clusters containing unprecedented face-condensed icosahedral-based transition-metal core geometries: proposed growth patterns from a centered Pd13 icosahedron†
• Authors of publication: Tran, Nguyet T.; Kawano, Masaki; Dahl, Lawrence F.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2731
• a: 22.7815 ± 0.0003 Å
• b: 22.7815 ± 0.0003 Å
• c: 28.0363 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12601.3 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No