Information card for entry 4310872

Structure parameters

• Formula: C10 H9 Mn Ni O3 S2
• Calculated formula: C10 H9 Mn Ni O3 S2
• SMILES: [cH]12[cH]3[cH]4[cH]5[Ni]67134([cH]25)[S]1CC[S]6[Mn]71(C#[O])(C#[O])C#[O]
• Title of publication: Nickel-Manganese Sulfido Carbonyl Cluster Complexes. Synthesis, Structure, and Properties of the Unusual Paramagnetic Complexes Cp2Ni2Mn(CO)3(μ3-E)2, E = S, Se
• Authors of publication: Richard D. Adams; Shaobin Miao; Mark D. Smith; Horatio Farach; Charles Edwin Webster; Josiah Manson; Michael B. Hall
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2515 - 2525
• a: 12.2308 ± 0.001 Å
• b: 10.5483 ± 0.001 Å
• c: 10.302 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1329.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No