Information card for entry 4303303

Structure parameters

• Formula: C30 H32 Mo2 O8 S6
• Calculated formula: C30 H32 Mo2 O8 S6
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]162345(SC(=C(S6)C(=O)OC)C(=O)OC)S[Mo]23456([cH]7[cH]2[cH]3[cH]4[cH]57)(SC(=C(S6)C(=O)OC)C(=O)OC)S1.Cc1ccc(C)cc1
• 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: 7.3455 ± 0.0013 Å
• b: 9.276 ± 0.0017 Å
• c: 12.838 ± 0.002 Å
• α: 75.422 ± 0.004°
• β: 76.8 ± 0.007°
• γ: 79.007 ± 0.004°
• Cell volume: 815.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.2066
• 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: No
• Has Fobs: No