Information card for entry 7203430

Structure parameters

• Formula: C16 H8 Br4 Fe I4 S4 Se8
• Calculated formula: C16 H8 Br4 Fe I4 S4 Se8
• 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: 7.3241 ± 0.0017 Å
• b: 36.602 ± 0.009 Å
• c: 13.58 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3640.5 ± 1.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No