Information card for entry 4300126

Structure parameters

• Chemical name: [MoO(S2C2Me2)2](Et4N)
• Formula: C16 H32 Mo N O S4
• Calculated formula: C16 H32.016 Mo N O S4
• 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: 12.7822 ± 0.0001 Å
• b: 12.7822 ± 0.0001 Å
• c: 27.3827 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4473.91 ± 0.07 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0567
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No