Information card for entry 4319165

Structure parameters

• Common name: Et4N[(Cl4cat)2Mo2Fe6S8(PEt3)6]
• Formula: C56 H110 Cl8 Fe6 Mo2 N O4 P6 S8
• Calculated formula: C56 H110 Cl8 Fe6 Mo2 N O4 P6 S8
• Title of publication: Molybdenum-Iron-Sulfur Clusters of Nuclearities Eight and Sixteen, Including a Topological Analogue of the P-Cluster of Nitrogenase
• Authors of publication: Frank Osterloh; Catalina Achim; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 224 - 232
• a: 15.8681 ± 0.0003 Å
• b: 24.7648 ± 0.0003 Å
• c: 23.724 ± 0.0004 Å
• α: 90°
• β: 109.464 ± 0.001°
• γ: 90°
• Cell volume: 8790 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No