Information card for entry 4320360

Structure parameters

• Formula: C15 Mn4 O15 S4
• Calculated formula: C15 Mn4 O15 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](C#[O])(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: 9.3161 ± 0.0007 Å
• b: 15.5165 ± 0.0011 Å
• c: 18.1976 ± 0.0013 Å
• α: 90°
• β: 96.028 ± 0.002°
• γ: 90°
• Cell volume: 2616 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No