Information card for entry 4313658

Structure parameters

• Formula: C16 H11 Mn Mo O9 S2
• Calculated formula: C16 H11 Mn Mo O9 S2
• SMILES: [Mo]123456([Mn]7([S]1C(=C([S]27)C(=O)OC)C(=O)OC)(C#[O])(C#[O])C#[O])([cH]1[cH]3[cH]4[cH]5[cH]61)(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: 9.3598 ± 0.0012 Å
• b: 9.7534 ± 0.0012 Å
• c: 11.7759 ± 0.0015 Å
• α: 84.218 ± 0.002°
• β: 72.867 ± 0.002°
• γ: 80.131 ± 0.002°
• Cell volume: 1010.7 ± 0.2 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: 0.0615
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.2586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No