Information card for entry 4318690

Structure parameters

• Formula: C12 H13 Mn2 O6 S3
• Calculated formula: C12 H13 Mn2 O6 S3
• 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: 10.008 ± 0.0016 Å
• b: 10.892 ± 0.0017 Å
• c: 16.375 ± 0.003 Å
• α: 90°
• β: 97.467 ± 0.003°
• γ: 90°
• Cell volume: 1769.9 ± 0.5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No