Information card for entry 4308146

Structure parameters

• Formula: C20 H161 Fe6 K9 N8 O162 Si3 W30
• Calculated formula: C16 H44 Fe6 K9 N6 O162 Si3 W30
• Title of publication: Tetrairon and Hexairon Hydroxo/Acetato Clusters Stabilized by Multiple Polyoxometalate Scaffolds. Structures, Magnetic Properties, and Chemistry of a Dimer and a Trimer
• Authors of publication: Bogdan Botar; Paul Kögerler; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5398 - 5403
• a: 20.3314 ± 0.0009 Å
• b: 20.3314 ± 0.0009 Å
• c: 33.39 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11953.1 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No