Information card for entry 7247269

Structure parameters

• Formula: C20 H26 F6 N8 O6 S2
• Calculated formula: C20 H26 F6 N8 O6 S2
• Title of publication: Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer
• Authors of publication: Nalaoh, Phattananawee; Jenkins, David M.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 35
• Pages of publication: 4929 - 4933
• a: 6.6612 ± 0.0006 Å
• b: 7.092 ± 0.0007 Å
• c: 15.1212 ± 0.0015 Å
• α: 94.455 ± 0.004°
• β: 98.312 ± 0.003°
• γ: 90.959 ± 0.004°
• Cell volume: 704.42 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No