Information card for entry 4318691

Structure parameters

• Formula: C17 H6 Mn4 O14 S5
• Calculated formula: C17 H6 Mn4 O14 S5
• Title of publication: Reactions of Thioethers with Mn2(CO)7(μ-S2) Proceed with CO Displacement and Insertion of the Sulfur Atom into the Mn-Mn Bond
• Authors of publication: Richard D. Adams; O.-Sung Kwon; Mark D. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5525 - 5529
• a: 31.567 ± 0.002 Å
• b: 9.2293 ± 0.0007 Å
• c: 19.7047 ± 0.0015 Å
• α: 90°
• β: 100.754 ± 0.002°
• γ: 90°
• Cell volume: 5640 ± 0.7 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No