Information card for entry 4318113

Structure parameters

• Common name: none
• Chemical name: Tris(tetrabutylammonium) bis(ethanedithiolato)-(mu-4-sulfido) -bis(mu-3-dulfido)-hexakis(mu-2-sulfido)-tetra-iron-di-molybdenum
• Formula: C55 H123 Fe4 Mo2 N4 O S13
• Calculated formula: C55 H123 Fe4 Mo2 N4 O S13
• Title of publication: High-Nuclearity Sulfide-Rich Molybdenum-Iron-Sulfur Clusters: Reevaluation and Extension
• Authors of publication: Hong-Cai Zhou; Weiping Su; Catalina Achim; P. Venkateswara Rao; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3191 - 3201
• a: 16.725 ± 0.002 Å
• b: 11.7601 ± 0.0017 Å
• c: 40.348 ± 0.006 Å
• α: 90°
• β: 93.105 ± 0.002°
• γ: 90°
• Cell volume: 7924.3 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No