Information card for entry 4318899

Structure parameters

• Formula: C30 H22 As2 Mn4 O14 S4
• Calculated formula: C30 H22 As2 Mn4 O14 S4
• SMILES: C([Mn]12(C#[O])(C#[O])[S]3[S]([Mn]3([S]1[S]2[Mn]([As](c1ccccc1)(C)C)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Mn]([As](c1ccccc1)(C)C)(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: 29.1471 ± 0.0013 Å
• b: 10.1212 ± 0.0004 Å
• c: 14.7477 ± 0.0006 Å
• α: 90°
• β: 108.551 ± 0.001°
• γ: 90°
• Cell volume: 4124.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No