Information card for entry 4335870

Structure parameters

• Formula: C14 H6 Mn O6 S3
• Calculated formula: C14 H6 Mn O6 S3
• Title of publication: Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks
• Authors of publication: Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10021 - 10030
• a: 6.5962 ± 0.0005 Å
• b: 7.1987 ± 0.0007 Å
• c: 32.446 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.7 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No