Information card for entry 4517318

Structure parameters

• Formula: C108 H94 O26 S8 Zn3
• Calculated formula: C96 H58 O20 S8 Zn3
• Title of publication: The Advent of Electrically Conducting Double-Helical Metal-Organic Frameworks Featuring Butterfly-Shaped Electron-Rich π-Extended Tetrathiafulvalene Ligands.
• Authors of publication: Gordillo, Monica A.; Benavides, Paola A.; Panda, Dillip K.; Saha, Sourav
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 16.0799 ± 0.0018 Å
• b: 18.649 ± 0.002 Å
• c: 19.39 ± 0.002 Å
• α: 102.207 ± 0.003°
• β: 114.118 ± 0.003°
• γ: 93.054 ± 0.003°
• Cell volume: 5123 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2607
• Weighted residual factors for all reflections included in the refinement: 0.2887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No