Information card for entry 4310037

Structure parameters

• Formula: C80 H82 Mn4 O9 S8
• Calculated formula: C80 H80.75 Mn4 O9 S8
• Title of publication: Tetranuclear Manganese(II) Complexes of Thiacalixarene Macrocycles with Trigonal Prismatic Six-Coordinate Geometries: Synthesis, Structure, and Magnetic Properties
• Authors of publication: Cédric Desroches; Guillaume Pilet; Serguei A. Borshch; Stéphane Parola; Dominique Luneau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9112 - 9120
• a: 18.213 ± 0.005 Å
• b: 19.037 ± 0.005 Å
• c: 29.159 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10110 ± 4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.2283
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections: 0.1853
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0476
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No