Information card for entry 4071540

Structure parameters

• Formula: C32 H62 Br Mn2 O5 S2 Si2
• Calculated formula: C32 H62 Br Mn2 O5 S2 Si2
• Title of publication: Mixed-Valence Manganese Carbonyl Complexes with Supersilyl Thiolate Ligands: [(OC)4Mn(μ-SSitBu3)2Mn(THF)X] (X = Br, SSitBu3) and Na(THF)6[(OC)3Mn(μ-SSitBu3)3MnSSitBu3]
• Authors of publication: Kückmann, Theresa I.; Schödel, Frauke; Sänger, Inge; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3272
• a: 8.8106 ± 0.0005 Å
• b: 17.3613 ± 0.0007 Å
• c: 27.1951 ± 0.0016 Å
• α: 90°
• β: 92.666 ± 0.005°
• γ: 90°
• Cell volume: 4155.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No