Information card for entry 7203425

Structure parameters

• Formula: C16 H8 Br8 Fe S4 Se8
• Calculated formula: C16 H8 Br8 Fe S4 Se8
• SMILES: C1([Se]C(=C(Br)[Se]1)Br)=C1[Se]C2=C(SCCS2)[Se]1.Br[Fe](Br)(Br)[Br-].C1([Se]C(=C(Br)[Se]1)Br)=C1[Se]C2=C(SCCS2)[Se]1
• Title of publication: New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)
• Authors of publication: Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 3381
• a: 38.489 ± 0.013 Å
• b: 7.207 ± 0.002 Å
• c: 13.08 ± 0.004 Å
• α: 90°
• β: 109.405 ± 0.008°
• γ: 90°
• Cell volume: 3422.2 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1495
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No