Information card for entry 4307663

Structure parameters

• Formula: C65 H50 Fe O20 S40
• Calculated formula: C65 H40 Fe O20 S40
• Title of publication: New BEDT-TTF/[Fe(C5O5)3]3-Hybrid System: Synthesis, Crystal Structure, and Physical Properties of a Chirality-Induced α Phase and a Novel Magnetic Molecular Metal
• Authors of publication: Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García; Paola Deplano; Maria Laura Mercuri; Angela Serpe; Luca Pilia; Christophe Faulmann; Enric Canadell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4446 - 4457
• a: 42.4125 ± 0.0005 Å
• b: 11.21 ± 0.0003 Å
• c: 20.4336 ± 0.0003 Å
• α: 90°
• β: 114.893 ± 0.001°
• γ: 90°
• Cell volume: 8812.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No