Information card for entry 4318431

Structure parameters

• Formula: C22 H12 Br4 Fe O2 S16
• Calculated formula: C22 H12 Br4 Fe O2 S16
• SMILES: Br[Fe](Br)(Br)[Br-].S1CCSC2=C1SC(S2)=C1SC(=O)C(S1)=C1SC=CS1.S1CCSC2=C1SC(S2)=C1SC(=O)C(S1)=C1SC=CS1
• Title of publication: Metallic Conductivity and Ferromagnetic Interaction of Iron(III) d Spins in the Needle Crystals of (Ethylenedithiotetrathiafulvalenoquinone-1,3-dithiolemethide)2.FeBr4 Salt
• Authors of publication: Takuya Matsumoto; Tsuyoshi Kominami; Kazumasa Ueda; Toyonari Sugimoto; Toshiji Tada; Satoru Noguchi; Harukazu Yoshino; Keizo Murata; Motoo Shiro; Ei-ichi Negishi; Naoki Toyota; Satoshi Endo; Kazuko Takahashi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4763 - 4769
• a: 6.699 ± 0.001 Å
• b: 7.092 ± 0.001 Å
• c: 19.579 ± 0.003 Å
• α: 81.46 ± 0.009°
• β: 88.397 ± 0.006°
• γ: 80.859 ± 0.004°
• Cell volume: 908.2 ± 0.2 ų
• Cell temperature: 113.2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.2175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.685
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No