Information card for entry 4076792

Structure parameters

• Formula: C24 H15 Mn2 O6 P S2
• Calculated formula: C24 H15 Mn2 O6 P S2
• SMILES: [Mn]123([Mn]4([S]1[S]24)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C3=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: 10.6883 ± 0.001 Å
• b: 13.5221 ± 0.0012 Å
• c: 17.504 ± 0.0016 Å
• α: 90°
• β: 100.924 ± 0.002°
• γ: 90°
• Cell volume: 2484 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No