Information card for entry 7204108

Structure parameters

• Formula: C11 H8 Br4 Fe S9
• Calculated formula: C11 H8 Br4 Fe S9
• Title of publication: Crystal structures and electrical conducting/magnetic properties in 1 ∶ 1 FeCl4 and FeBr4 salts of dimethylthio- and ethylenedithio-(1,3-dithiolylidene)thioxotetrathiafulvalene radical cations
• Authors of publication: Kominami, Tsuyoshi; Matsumoto, Takuya; Ueda, Kazumasa; Sugimoto, Toyonari; Murata, Keizo; Shiro, Motoo; Fujita, Hideo
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2089
• a: 8.6768 ± 0.0007 Å
• b: 10.517 ± 0.0003 Å
• c: 14.2544 ± 0.0009 Å
• α: 69.509 ± 0.007°
• β: 76.406 ± 0.003°
• γ: 83.126 ± 0.003°
• Cell volume: 1183.33 ± 0.14 ų
• Cell temperature: 113.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.906
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No