Information card for entry 4325528

Structure parameters

• Formula: C48 H98 B2 Fe6 Mo2 N12 P4 S10 Si2
• Calculated formula: C48 H98 B2 Fe6 Mo2 N12 P4 S10 Si2
• Title of publication: The [MoFe3S4]2+ Oxidation State: Synthesis, Substitution Reactions, and Structures of Phosphine-Ligated Cubane-Type Clusters with the S = 2 Ground State
• Authors of publication: Bin Xi; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6280 - 6288
• a: 11.683 ± 0.002 Å
• b: 18.803 ± 0.003 Å
• c: 22.516 ± 0.004 Å
• α: 65.571 ± 0.003°
• β: 75.347 ± 0.004°
• γ: 89.576 ± 0.004°
• Cell volume: 4330.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1524
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No