Information card for entry 7203729

Structure parameters

• Formula: C52 H40 Br Fe O13 S32
• Calculated formula: C52 H37 Br Fe O13 S32
• Title of publication: A novel paramagnetic molecular superconductor formed by bis(ethylenedithio)tetrathiafulvalene, tris(oxalato)ferrate(iii) anions and bromobenzene as guest molecule: ET4[(H3O)Fe(C2O4)3]�C6H5Br
• Authors of publication: Eugenio Coronado; Simona Curreli; Carlos Giménez-Saiz; Carlos J. Gómez-García
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 1429
• a: 10.2875 ± 0.0003 Å
• b: 20.0546 ± 0.0015 Å
• c: 35.513 ± 0.002 Å
• α: 90°
• β: 93.238 ± 0.005°
• γ: 90°
• Cell volume: 7315.1 ± 0.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• 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: 0.1086
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No