Information card for entry 7033433

Structure parameters

• Formula: C20 F10 Mn2 O8 S2
• Calculated formula: C20 F10 Mn2 O8 S2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[S]1[Mn](C#[O])(C#[O])(C#[O])(C#[O])[S](c2c(c(c(c(c2F)F)F)F)F)[Mn]1(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: 9.2997 ± 0.0002 Å
• b: 16.5384 ± 0.0004 Å
• c: 8.6285 ± 0.0001 Å
• α: 90°
• β: 116.849 ± 0.001°
• γ: 90°
• Cell volume: 1184.02 ± 0.04 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.026
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No