Information card for entry 4318900

Structure parameters

• Formula: C22 H11 As Mn4 O14 S4
• Calculated formula: C22 H11 As Mn4 O14 S4
• SMILES: [Mn]12([S]3([Mn]4([S]1[S]4[Mn]([S]23)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Mn]([As](C)(C)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Disulfides of Manganese Carbonyl. Synthesis of Mn2(CO)7(μ-S2) and Its Reactions with Tertiary Phosphines and Arsines
• Authors of publication: Richard D. Adams; O-Sung Kwon; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6281 - 6290
• a: 9.0561 ± 0.0004 Å
• b: 25.9062 ± 0.0011 Å
• c: 13.7699 ± 0.0006 Å
• α: 90°
• β: 91.449 ± 0.001°
• γ: 90°
• Cell volume: 3229.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No