Information card for entry 4318904

Structure parameters

• Formula: C30 H22 Mn4 O14 P2 S4
• Calculated formula: C30 H22 Mn4 O14 P2 S4
• SMILES: C([Mn]12([S]([S]2[Mn]([P](c2ccccc2)(C)C)(C#[O])(C#[O])(C#[O])C#[O])[Mn]2([S]1[S]2[Mn]([P](c1ccccc1)(C)C)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O])#[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: 29.1716 ± 0.0018 Å
• b: 10.0622 ± 0.0006 Å
• c: 14.5491 ± 0.0009 Å
• α: 90°
• β: 108.695 ± 0.001°
• γ: 90°
• Cell volume: 4045.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No