Information card for entry 4329569

Structure parameters

• Formula: H35 K12 O86.5 P2 Pd W19
• Calculated formula: K12 O86.5 P2 Pd W19
• Title of publication: Revisiting the Polyoxometalate-Based Late-Transition-Metal-Oxo Complexes: The "Oxo Wall" Stands
• Authors of publication: Kevin P. O'Halloran; Chongchao Zhao; Nicole S. Ando; Arthur J. Schultz; Thomas F. Koetzle; Paula M. B. Piccoli; Britt Hedman; Keith O. Hodgson; Elena Bobyr; Martin L. Kirk; Sushilla Knottenbelt; Ezra C. Depperman; Benjamin Stein; Travis M. Anderson; Rui Cao; Yurii V. Geletii; Kenneth I. Hardcastle; Djamaladdin G. Musaev; Wade A. Neiwert; Xikui Fang; Keiji Morokuma; Shaoxiong Wu; Paul Kögerler; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7025 - 7031
• a: 11.984 ± 0.002 Å
• b: 17.335 ± 0.004 Å
• c: 23.029 ± 0.005 Å
• α: 90.382 ± 0.003°
• β: 103.293 ± 0.003°
• γ: 108.724 ± 0.003°
• Cell volume: 4392.7 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No