Information card for entry 7033438

Structure parameters

• Formula: C37 H16 Cl4 F4 Mn4 O12 S4
• Calculated formula: C37 H16 Cl4 F4 Mn4 O12 S4
• SMILES: [Mn]12(S3(c4ccc(F)cc4)[Mn]4(S1(c1ccc(F)cc1)[Mn]1(S4(c4ccc(F)cc4)[Mn]3(S21c1ccc(F)cc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].ClC(Cl)(Cl)Cl
• 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: 16.0318 ± 0.0004 Å
• b: 16.1365 ± 0.0005 Å
• c: 17.5547 ± 0.0006 Å
• α: 90°
• β: 103.771 ± 0.002°
• γ: 90°
• Cell volume: 4410.8 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No