Information card for entry 4107495

Structure parameters

• Formula: H18.8 K9.8 Na3 O80.3 P2 Pd W19
• Calculated formula: K9.8 Na3 O80.3 P2 Pd W19
• Title of publication: A Palladium-Oxo Complex. Stabilization of This Proposed Catalytic Intermediate by an Encapsulating Polytungstate Ligand [J. Am. Chem.Soc.2005,127, 11948-11949].
• Authors of publication: Travis M. Anderson; Rui Cao; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Wade A. Neiwert; Shaoxiong Wu; Martin L. Kirk; Sushilla Knottenbelt; Ezra C. Depperman; Bineta Keita; Louis Nadjo; Djamaladdin G. Musaev; Keiji Morokuma; Craig L. Hill
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2877 - 2877
• a: 11.8734 ± 0.0015 Å
• b: 17.225 ± 0.002 Å
• c: 22.814 ± 0.003 Å
• α: 90.536 ± 0.002°
• β: 103.247 ± 0.002°
• γ: 108.671 ± 0.002°
• Cell volume: 4285.4 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No