Information card for entry 4320361

Structure parameters

• Formula: C16 H3 Mn4 N O14 S4
• Calculated formula: C16 Mn4 N O14 S4
• SMILES: [Mn]12([S]3([Mn]4([S]1[S]2[Mn]([S]34)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Mn]([N]#CC)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Mn2(CO)6(μ-CO)(μ-S2): The Simplest Disulfide of Manganese Carbonyl
• Authors of publication: Richard D. Adams; O-Sung Kwon; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5322 - 5323
• a: 9.619 ± 0.002 Å
• b: 16.059 ± 0.002 Å
• c: 18.349 ± 0.003 Å
• α: 90°
• β: 101 ± 0.01°
• γ: 90°
• Cell volume: 2782.3 ± 0.8 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections: 1.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No