Information card for entry 7010777

Structure parameters

• Formula: C71 H144 O23 P16 Pd39
• Calculated formula: C71 H144 O23 P16 Pd39
• 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: 41.372 ± 0.007 Å
• b: 16.132 ± 0.004 Å
• c: 33.06 ± 0.005 Å
• α: 90°
• β: 128.381 ± 0.01°
• γ: 90°
• Cell volume: 17296 ± 6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1952
• Residual factor for significantly intense reflections: 0.1159
• Weighted residual factors for significantly intense reflections: 0.2387
• Weighted residual factors for all reflections included in the refinement: 0.2778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No