Information card for entry 7204444

Structure parameters

• Chemical name: Bis(ethylenedithio)tetrathiafulvalenium bis(1,2,5-thiadizole-3,4-dithiol) iron(III)
• Formula: C24 H16 Fe N4 S22
• Calculated formula: C24 H16 Fe N4 S22
• Title of publication: A two-dimensional radical salt based upon BEDT-TTF and the dimeric, magnetic anion [Fe(tdas)2]22−: (BEDT-TTF)2[Fe(tdas)2](tdas = 1,2,5-thiadiazole-3,4-dithiolate)
• Authors of publication: Paola Deplano; Laura Leoni; Maria Laura Mercuri; John A. Schlueter; Urs Geiser; Hau H. Wang; Aravinda M. Kini; Jamie L. Manson; Carlos J. Gómez-García; Eugenio Coronado; H.-J. Koo; M.-H. Whangbo
• Journal of publication: J. Mater. Chem.
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 3570 - 3577
• a: 11.6342 ± 0.0012 Å
• b: 4.1608 ± 0.0005 Å
• c: 40.513 ± 0.005 Å
• α: 90°
• β: 98.07 ± 0.006°
• γ: 90°
• Cell volume: 1941.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2474
• Residual factor for significantly intense reflections: 0.1918
• Weighted residual factors for significantly intense reflections: 0.4787
• Weighted residual factors for all reflections included in the refinement: 0.4876
• Goodness-of-fit parameter for all reflections included in the refinement: 2.569
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No