Information card for entry 7132533

Structure parameters

• Formula: C20 H8 N6 Se2 Te
• Calculated formula: C20 H8 N6 Se2.0001 Te0.9999
• Title of publication: Influence of donor point modifications on the assembly of chalcogen-bonded organic frameworks.
• Authors of publication: Eckstein, Brian J.; Martin, Hannah R.; Moghadasnia, Michael P.; Halder, Arijit; Melville, Michael J.; Buzinski, Tara N.; Balaich, Gary J.; McGuirk, C. Michael
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 6
• Pages of publication: 758 - 761
• a: 21.529 ± 0.003 Å
• b: 21.529 ± 0.003 Å
• c: 7.653 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3071.9 ± 0.7 ų
• Cell temperature: 100.1 ± 0.3 K
• Ambient diffraction temperature: 100.1 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No