Information card for entry 7241258

Structure parameters

• Formula: C16 H10 I3 S10
• Calculated formula: C16 H10 I3 S10
• 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: 11.8075 ± 0.0002 Å
• b: 14.6651 ± 0.0003 Å
• c: 16.9675 ± 0.0003 Å
• α: 92.604 ± 0.002°
• β: 106.484 ± 0.002°
• γ: 107.727 ± 0.002°
• Cell volume: 2655.43 ± 0.1 ų
• Cell temperature: 150 ± 2 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: 0.0523
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No