Information card for entry 4337374

Structure parameters

• Formula: C38 H114 Co1.67 K0 N9.5 O128.5 P4 W34.33
• Calculated formula: C38 H114 Co1.667 N9.5 O128.5 P4 W34.333
• Title of publication: Dicobalt-μ-oxo Polyoxometalate Compound, [(α2-P2W17O61Co)2O](14-): A Potent Species for Water Oxidation, C-H Bond Activation, and Oxygen Transfer.
• Authors of publication: Barats-Damatov, Delina; Shimon, Linda J. W.; Weiner, Lev; Schreiber, Roy E.; Jiménez-Lozano, Pablo; Poblet, Josep M.; de Graaf, Coen; Neumann, Ronny
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1779 - 1787
• a: 27.517 ± 0.006 Å
• b: 29.404 ± 0.006 Å
• c: 26.16 ± 0.008 Å
• α: 90°
• β: 112.306 ± 0.009°
• γ: 90°
• Cell volume: 19582 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1671
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No