Information card for entry 4335872

Structure parameters

• Formula: C32 H28 Mn N2 O6 S3
• Calculated formula: C32 H28 Mn N2 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: 9.1891 ± 0.0005 Å
• b: 10.1201 ± 0.0006 Å
• c: 16.8042 ± 0.001 Å
• α: 95.405 ± 0.003°
• β: 91.005 ± 0.002°
• γ: 97.203 ± 0.003°
• Cell volume: 1542.79 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No