Information card for entry 4519266

Structure parameters

• Formula: C50 H20 O8 S4
• Calculated formula: C50 H20 O8 S4
• Title of publication: An Electrically Conductive Tetrathiafulvalene-Based Hydrogen-Bonded Organic Framework
• Authors of publication: Kirlikovali, Kent O.; Goswami, Subhadip; Mian, Mohammad Rasel; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Hupp, Joseph T.; Li, Peng; Farha, Omar K.
• Journal of publication: ACS Materials Letters
• Year of publication: 2021
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 128 - 135
• a: 8.5009 ± 0.0001 Å
• b: 21.4939 ± 0.0003 Å
• c: 25.0055 ± 0.0003 Å
• α: 65.639 ± 0.001°
• β: 83.81 ± 0.001°
• γ: 82.195 ± 0.001°
• Cell volume: 4116.79 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.1126
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.3121
• Weighted residual factors for all reflections included in the refinement: 0.3287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.381
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No