Information card for entry 4076789

Structure parameters

• Formula: C11 H5 Co Mn2 O6 S2
• Calculated formula: C11 H5 Co Mn2 O6 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])(C#[O])(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: 10.0593 ± 0.0005 Å
• b: 12.5617 ± 0.0007 Å
• c: 14.5614 ± 0.0008 Å
• α: 110.711 ± 0.001°
• β: 95.077 ± 0.001°
• γ: 112.026 ± 0.001°
• Cell volume: 1542.73 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No