Information card for entry 7241256

Structure parameters

• Formula: C24 H14 I6 S12
• Calculated formula: C24 H14 I6 S12
• Title of publication: Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.
• Authors of publication: Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.2097 ± 0.0006 Å
• b: 10.9057 ± 0.0006 Å
• c: 17.3954 ± 0.0012 Å
• α: 90.663 ± 0.005°
• β: 102.294 ± 0.006°
• γ: 93.878 ± 0.005°
• Cell volume: 1887.5 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No