Information card for entry 4318110

Structure parameters

• Common name: none
• Chemical name: Tetrakis(tetraethylammonium) bis(ethanedithiolato)-(mu-4-sulfido) -bis(mu-3-dulfido)-hexakis(mu-2-sulfido)-tetra-iron-di-molybdenum
• Formula: C36 H88 Fe4 Mo2 N4 S13
• Calculated formula: C36 H88 Fe4 Mo2 N4 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: 17.8927 ± 0.0009 Å
• b: 34.137 ± 0.0018 Å
• c: 12.5379 ± 0.0006 Å
• α: 90°
• β: 127.968 ± 0.001°
• γ: 90°
• Cell volume: 6037.4 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No