Information card for entry 7033440

Structure parameters

• Formula: C34 H26 Mn2 O6 S4
• Calculated formula: C34 H26 Mn2 O6 S4
• SMILES: c12ccc(cc1[S](c1ccc(cc1)C)[Mn]1([S]2[Mn]2([S]1c1ccc(cc1[S]2c1ccc(cc1)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])C
• 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: 23.964 ± 0.0015 Å
• b: 12.8427 ± 0.0008 Å
• c: 13.5112 ± 0.0009 Å
• α: 90°
• β: 110.91 ± 0.004°
• γ: 90°
• Cell volume: 3884.4 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No