Information card for entry 4318894

Structure parameters

• Formula: C7 Mn2 O7 S2
• Calculated formula: C7 Mn2 O7 S2
• SMILES: [Mn]123([Mn]4([S]1[S]24)(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: 6.8528 ± 0.0006 Å
• b: 10.0584 ± 0.0009 Å
• c: 17.3064 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1192.9 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0606
• 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