Information card for entry 7033429

Structure parameters

• Formula: C22 H8 F6 Mn2 O8 S2
• Calculated formula: C22 H8 F6 Mn2 O8 S2
• SMILES: c1(ccc(cc1)C(F)(F)F)[S]1[Mn](C#[O])(C#[O])([S](c2ccc(cc2)C(F)(F)F)[Mn]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Carbon monoxide release properties and molecular structures of phenylthiolatomanganese(i) carbonyl complexes of the type [(OC)4Mn(μ-S-aryl)]2.
• Authors of publication: Mede, Ralf; Lorett-Velásquez, Vaneza Paola; Klein, Moritz; Görls, Helmar; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Westerhausen, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3020 - 3033
• a: 11.5033 ± 0.0003 Å
• b: 6.346 ± 0.0002 Å
• c: 17.4457 ± 0.0003 Å
• α: 90°
• β: 101.244 ± 0.001°
• γ: 90°
• Cell volume: 1249.09 ± 0.06 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0312
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No