Information card for entry 7132620

Structure parameters

• Chemical name: 4c
• Formula: C70 H134 N4 O6 Si6
• Calculated formula: C70 H134 N4 O6 Si6
• SMILES: [Si](Oc1c(cc(c2cc(c(O[Si](C(C)C)(C(C)C)C(C)C)c(c2)/C=N/O[Si](C(C)C)(C(C)C)C(C)C)/C=N/O[Si](C(C)C)(C(C)C)C(C)C)cc1/C=N/O[Si](C(C)C)(C(C)C)C(C)C)/C=N/O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)(C(C)C)C(C)C
• Title of publication: Fluoride-triggered phase transition of metallogels for on-demand <i>in situ</i> containment of fluids.
• Authors of publication: Kim, Junghwan; Kim, Chungryeol; Lee, Dongwhan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 13
• Pages of publication: 1762 - 1765
• a: 15.9929 ± 0.0003 Å
• b: 16.1504 ± 0.0003 Å
• c: 17.3188 ± 0.0004 Å
• α: 79.449 ± 0.002°
• β: 65.041 ± 0.002°
• γ: 78.584 ± 0.002°
• Cell volume: 3950.26 ± 0.15 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No