Information card for entry 4300132

Structure parameters

• Chemical name: [Mo(S2C2Me2)3]
• Formula: C12 H18 Mo S6
• Calculated formula: C12 H18 Mo S6
• SMILES: [Mo]123(SC(=C(S1)C)C)(SC(=C(S2)C)C)SC(=C(S3)C)C
• 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: 7.0301 ± 0.0003 Å
• b: 8.9791 ± 0.0003 Å
• c: 14.8274 ± 0.0005 Å
• α: 83.99°
• β: 81.602 ± 0.002°
• γ: 72.108 ± 0.002°
• Cell volume: 879.37 ± 0.06 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.0999
• Goodness-of-fit parameter for all reflections: 0.951
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No