Information card for entry 4305671

Structure parameters

• Formula: C19.5 H11.5 Cl2 Fe0.5 O4.75 S9
• Calculated formula: C19.5 H11.5 Cl2 Fe0.5 O4.75 S9
• Title of publication: Fe2OCl62-Salt Formed by Electrochemical Oxidation of Ethylenedioxytetrathiafulvalenoquinone-1,3-dithiolemethide in the Presence of FeCl4- Ion with a Silicon Wafer Electrode
• Authors of publication: Tadahiro Koike; Sayo Yokota; Hideki Fujiwara; Toyonari Sugimoto; Satoru Noguchi; Dominique de Caro; Lydie Valade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7074 - 7076
• a: 20.687 ± 0.007 Å
• b: 39.282 ± 0.014 Å
• c: 12.764 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10372 ± 6 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No