Information card for entry 1572699

Structure parameters

• Formula: C14 H18 F6 N4 Si Zn
• Calculated formula: C14 H18 F6 N4 Si Zn
• Title of publication: Crystal engineering of a new platform of hybrid ultramicroporous materials and their C2H2/CO2 separation properties
• Authors of publication: O’Hearn, Daniel J.; Sensharma, Debobroto; Raza, Asif; Bezrukov, Andrey A.; Vandichel, Matthias; Mukherjee, Soumya; Zaworotko, Michael
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 12.704 ± 0.004 Å
• b: 13.535 ± 0.004 Å
• c: 14.921 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2565.6 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No