Information card for entry 7132532

Structure parameters

• Common name: Trip2Sez1Tez
• Chemical name: Triptycene bis(1,2,5-selenadiazole) mono(1,25-telluradiazole)
• Formula: C20 H8 N6 Se2 Te
• Calculated formula: C20 H8 N6 Se2 Te
• 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: 12.505 ± 0.0003 Å
• b: 36.9389 ± 0.0007 Å
• c: 7.7404 ± 0.0002 Å
• α: 90°
• β: 107.994 ± 0.003°
• γ: 90°
• Cell volume: 3400.57 ± 0.15 ų
• Cell temperature: 139.99 ± 0.1 K
• Ambient diffraction temperature: 139.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No