Information card for entry 4339549

Structure parameters

• Formula: C22 H12 Br4 Fe O2 S8 Se8
• Calculated formula: C22 H12 Br4 Fe O2 S8 Se8
• SMILES: Br[Fe](Br)(Br)[Br-].[Se]1C2=C([Se]C1=C1SC(=O)C(S1)=C1[Se]C=C[Se]1)SCCS2.[Se]1C2=C([Se]C1=C1SC(C(=O)S1)=C1[Se]C=C[Se]1)SCCS2
• Title of publication: Weak ferromagnetism in a semiconducting (ethylenedithiodiselena- dithiafulvalenoquinone-1,3-diselenolemethide)2.FeBr4 salt.
• Authors of publication: Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Katori, Hiroko Aruga
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8478 - 8480
• a: 14.428 ± 0.009 Å
• b: 13.924 ± 0.009 Å
• c: 19.35 ± 0.01 Å
• α: 90°
• β: 100.15 ± 0.03°
• γ: 90°
• Cell volume: 3826 ± 4 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No