Information card for entry 4303301

Structure parameters

• Formula: C20 H20 Mo2 O4 S6
• Calculated formula: C20 H20 Mo2 O4 S6
• SMILES: [Mo]1234567(SC(=C([S]1[Mo]189%10%11([S]2C=CS3)(SC=CS1)[cH]1[cH]8[cH]9[cH]%10[cH]%111)C(=O)OC)C(=O)OC)[cH]1[cH]4[cH]5[cH]6[cH]71
• Title of publication: Sequential Construction of One, Two, or Three Dithiolene Ligands from Alkynes and Sulfur in Dinuclear Cyclopentadienyl Molybdenum Complexes
• Authors of publication: Harry Adams; Matthew N. Bancroft; Michael J. Morris; Andrea E. Riddiough
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9557 - 9566
• a: 10.6901 ± 0.0009 Å
• b: 10.7485 ± 0.0009 Å
• c: 11.16 ± 0.0009 Å
• α: 96.789 ± 0.002°
• β: 98.747 ± 0.002°
• γ: 90.567 ± 0.002°
• Cell volume: 1258 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No