Information card for entry 4318109

Structure parameters

• Common name: none
• Chemical name: tris(Tetraethylammonium) bis(bis(mu2-sulfido)- (ethanedithiolato-S,S')-sulfido-tungsten)-iron
• Formula: C28 H68 Fe N3 S10 W2
• Calculated formula: C28 H68 Fe N3 S10 W2
• 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: 13.668 ± 0.003 Å
• b: 18.355 ± 0.004 Å
• c: 17.482 ± 0.003 Å
• α: 90°
• β: 101.382 ± 0.004°
• γ: 90°
• Cell volume: 4299.6 ± 1.5 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: 0.0466
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No