Information card for entry 4313656

Structure parameters

• Formula: C12 H9 Mn Mo O5 S2
• Calculated formula: C12 H9 Mn Mo O5 S2
• SMILES: [Mn]12([Mo]34567([S]1CC[S]23)([cH]1[cH]7[cH]6[cH]5[cH]41)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: New Disulfido Molybdenum-Manganese Complexes Exhibit Facile Addition of Small Molecules to the Sulfur Atoms
• Authors of publication: Richard D. Adams; Burjor Captain; O-Sung Kwon; Shaobin Miao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3356 - 3365
• a: 9.027 ± 0.013 Å
• b: 9.151 ± 0.013 Å
• c: 18.6 ± 0.03 Å
• α: 80.53 ± 0.03°
• β: 87.89 ± 0.03°
• γ: 84.65 ± 0.03°
• Cell volume: 1509 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No