Information card for entry 4303302

Structure parameters

• Formula: C16 H16 Mo2 O4 S5
• Calculated formula: C16 H16 Mo2 O4 S5
• SMILES: [Mo]13456(S[Mo]789%10%11(SC(=C([S]7)C(=O)OC)C(=O)OC)(S1)[cH]1[cH]8[cH]9[cH]%10[cH]%111)(=S)[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 7.0717 ± 0.0012 Å
• b: 25.671 ± 0.004 Å
• c: 11.4625 ± 0.0018 Å
• α: 90°
• β: 94.323 ± 0.009°
• γ: 90°
• Cell volume: 2075 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No