Information card for entry 4076791

Structure parameters

• Formula: C28 H20 Co Mn2 O5 P S2
• Calculated formula: C28 H20 Co Mn2 O5 P S2
• SMILES: [Mn]123([Mn]45([Co]67891([S]24)([S]35)[cH]1[cH]6[cH]7[cH]8[cH]91)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Insertion of Cyclopentadienylmetal Groups into the S−S Bond of Mn2(CO)7(μ-S2)
• Authors of publication: Adams, Richard D.; Kwon, O-Sung; Smith, Mark D.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 9
• Pages of publication: 1960
• a: 10.7639 ± 0.0007 Å
• b: 25.0939 ± 0.0016 Å
• c: 11.6335 ± 0.0008 Å
• α: 90°
• β: 112.381 ± 0.001°
• γ: 90°
• Cell volume: 2905.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0895
• 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