Information card for entry 4318897

Structure parameters

• Formula: C33 H26 Cl4 Mn4 O15 P2 S2
• Calculated formula: C66 H52 Cl8 Mn8 O30 P4 S4
• SMILES: c1(ccccc1)[P](C)(C)[Mn]([S]1[Mn]23(C#[O])(C#[O])(C(=O)[Mn]13([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])(C#[O])(C#[O])C#[O].C(Cl)Cl.C(Cl)Cl
• 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: 27.827 ± 0.002 Å
• b: 33.959 ± 0.003 Å
• c: 9.4488 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8928.9 ± 1.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No