Information card for entry 4101315

Structure parameters

• Formula: C16 H12 Cl4 Fe S4 Se8
• Calculated formula: C16 H12 Cl4 Fe S4 Se8
• SMILES: C1CSC2=C(S1)[Se]C([Se]2)=C1[Se]C=C[Se]1.[Cl-][Fe](Cl)(Cl)Cl.C1CSC2=C(S1)[Se]C([Se]2)=C1[Se]C=C[Se]1
• Title of publication: Current-induced metallic state in an organic (EDT-TSF)2GaCl4 conductor.
• Authors of publication: Endo, Hisataka; Kawamoto, Tadashi; Mori, Takehiko; Terasaki, Ichiro; Kakiuchi, Toru; Sawa, Hiroshi; Kodani, Mie; Takimiya, Kazuo; Otsubo, Tetsuo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 28
• Pages of publication: 9006 - 9007
• a: 7.29 ± 0.005 Å
• b: 30.655 ± 0.004 Å
• c: 6.696 ± 0.002 Å
• α: 90°
• β: 100.42 ± 0.04°
• γ: 90°
• Cell volume: 1471 ± 1 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No