Information card for entry 7203602

Structure parameters

• Formula: C25.2 H8.4 As1.33 Cl2.4 F8 I6 N6 Se12
• Calculated formula: C25.2 H6 As1.34 Cl2.4 F7.95 I6 N6 Se12
• Title of publication: Hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetraselenafulvalene: high yield recovery of the neutral ?-donor by a simple chemical reaction
• Authors of publication: Imakubo, Tatsuro; Kibune, Megumi; Yoshino, Hiroko; Shirahata, Takashi; Yoza, Kenji
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 4110
• a: 20.3703 ± 0.0017 Å
• b: 20.3703 ± 0.0017 Å
• c: 7.2558 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2607.4 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 193
• Hermann-Mauguin space group symbol: P 63/m c m
• Hall space group symbol: -P 6c 2
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No