Information card for entry 4300125

Structure parameters

• Chemical name: [Mo2(??SePh)2(S2C2Ph2)4](Et4N)2(2MeCN)(Et2O)
• Formula: C92 H106 Mo2 N4 O S8 Se2
• Calculated formula: C92 H106 Mo2 N4 O S8 Se2
• Title of publication: Synthesis and Structures of Bis(dithiolene)molybdenum Complexes Related to the Active Sites of the DMSO Reductase Enzyme Family
• Authors of publication: Booyong S. Lim; James P. Donahue; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 263 - 273
• a: 11.609 ± 0.003 Å
• b: 29.268 ± 0.01 Å
• c: 26.953 ± 0.008 Å
• α: 90°
• β: 101.23 ± 0.02°
• γ: 90°
• Cell volume: 8983 ± 5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No