Information card for entry 4318903

Structure parameters

• Formula: C31 H22 As2 Mn4 O15 S2
• Calculated formula: C31 H22 As2 Mn4 O15 S2
• SMILES: [Mn]123([Mn]([S]1[Mn]([As](C)(C)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])([S]2[Mn]([As](C)(C)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(C3=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: 9.5812 ± 0.0014 Å
• b: 25.939 ± 0.004 Å
• c: 16.459 ± 0.002 Å
• α: 90°
• β: 102.016 ± 0.004°
• γ: 90°
• Cell volume: 4000.9 ± 1 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: 0.1522
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No