Information card for entry 7209539

Structure parameters

• Common name: (DIP)3(PF6)0.62(AcOEt)0.49
• Formula: C25.96 H9.92 F3.72 I6 N6 O0.98 P0.62 S12
• Calculated formula: C36.96 H6 F3 I6 N6 P0.5 S12
• Title of publication: Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)
• Authors of publication: Imakubo, Tatsuro; Murayama, Ryosuke
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 3072
• a: 20.0593 ± 0.0013 Å
• b: 20.0593 ± 0.0013 Å
• c: 7.1695 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2498.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0526
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.469
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No