Information card for entry 4310871

Structure parameters

• Formula: C16 H10 Mn2 Ni2 O6 S7
• Calculated formula: C16 H10 Mn2 Ni2 O6 S7
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ni]12345[S]2[S]3[Mn]4([S]1[S]1S[S]4[S]([Mn]21(C#[O])(C#[O])C#[O])[Ni]12453[cH]3[cH]5[cH]4[cH]2[cH]13)(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: 16.7406 ± 0.0011 Å
• b: 19.2196 ± 0.0012 Å
• c: 7.8675 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2531.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No