Information card for entry 4318114

Structure parameters

• Common name: none
• Chemical name: tris(Tetraethylammonium) bis(ethanedithiolato-S,S')-tetrakis(mu3-sulfido)-heptak tetra-iron-di-molybdenum
• Formula: C34 H82 Fe5 Mo2 N5 O2 S15
• Calculated formula: C33.985 H82 Fe5 Mo2 N5 O2 S15
• 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: 10.0129 ± 0.001 Å
• b: 32.172 ± 0.003 Å
• c: 19.0368 ± 0.0018 Å
• α: 90°
• β: 92.815 ± 0.002°
• γ: 90°
• Cell volume: 6125 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.0779
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No