Information card for entry 7010775

Structure parameters

• Formula: C62.2 H119.4 Ni3 O22.3 P13 Pd29
• Calculated formula: C62.2 H119.4 Ni3 O22.3 P13 Pd29
• 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: 16.4877 ± 0.0002 Å
• b: 16.4877 ± 0.0002 Å
• c: 38.2484 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9004.59 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No