Information card for entry 4310038

Structure parameters

• Formula: C80 H80 Mn4 O16 S8
• Calculated formula: C80 H83.5 Mn4 O17 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: 33.046 ± 0.005 Å
• b: 19.536 ± 0.005 Å
• c: 15.777 ± 0.005 Å
• α: 90°
• β: 115.176 ± 0.005°
• γ: 90°
• Cell volume: 9218 ± 4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.3037
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections: 0.211
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1199
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No