Information card for entry 7244870

Structure parameters

• Formula: C56 H72 N8 O20 Si2
• Calculated formula: C56 H72 N8 O20 Si2
• Title of publication: Vibrational mode analysis of hydrogen-bonded organic frameworks (HOFs): synchrotron infrared studies
• Authors of publication: Ennis, Courtney; Appadoo, Dominique R. T.; Boer, Stephanie A.; White, Nicholas G.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 14.33058 ± 0.00003 Å
• b: 14.33058 ± 0.00003 Å
• c: 8.35856 ± 0.00002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1716.56 ± 0.007 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections: 0.2334
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0673
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No