Information card for entry 4101369

Structure parameters

• Formula: C11 H6 Br2 Fe0.5 S5 Se4
• Calculated formula: C11 H6 Br2 Fe0.5 S5 Se4
• SMILES: Br[Fe](Br)(Br)[Br-].[Se]1C2=C([Se]C1=C1SC(C(=S)S1)=C1[Se]C=C[Se]1)SCCS2
• Title of publication: A metallic (EDT-DSDTFVSDS)2.FeBr4 salt: antiferromagnetic ordering of d spins of FeBr4- ions and anomalous magnetoresistance due to preferential pi-d interaction.
• Authors of publication: Hayashi, Toshiki; Xiao, Xunwen; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Fujimoto, Tsutomu; Yasuzuka, Syuma; Yoshino, Harukazu; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 36
• Pages of publication: 11746 - 11747
• a: 37.64 ± 0.04 Å
• b: 7.498 ± 0.006 Å
• c: 14.03 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3960 ± 6 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No