Information card for entry 4318901

Structure parameters

• Formula: C36 H22 As2 Mn6 O20 S6
• Calculated formula: C36 H22 As2 Mn6 O20 S6
• SMILES: [Mn]([S]1[Mn]2([S]34[Mn]5([S]1[Mn]1([S]5[S]([Mn]([As](C)(C)c5ccccc5)(C#[O])(C#[O])(C#[O])C#[O])[Mn]3([S]241)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([As](C)(C)c1ccccc1)(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: 9.9165 ± 0.0005 Å
• b: 12.1757 ± 0.0006 Å
• c: 22.3393 ± 0.0011 Å
• α: 87.392 ± 0.001°
• β: 89.006 ± 0.001°
• γ: 71.276 ± 0.001°
• Cell volume: 2551.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0991
• 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