Information card for entry 7247268

Structure parameters

• Formula: C10 H14 F6 O6 S2
• Calculated formula: C10 H14 F6 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: 15.4247 ± 0.0006 Å
• b: 9.6024 ± 0.0004 Å
• c: 10.6881 ± 0.0005 Å
• α: 90°
• β: 98.793 ± 0.002°
• γ: 90°
• Cell volume: 1564.45 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.028
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No