Information card for entry 2311099

Structure parameters

• Chemical name: Na Zeolite Y * CO2
• Formula: C33.94 Al0 Na58.75 O481.8 Si192
• Calculated formula: C33.936 Na58.704 O481.856 Si192
• Title of publication: CO2 adsorption in Y zeolite: a structural and dynamic view by a novel principal-component-analysis-assisted in situ single-crystal X-ray diffraction experiment
• Authors of publication: Conterosito, Eleonora; Palin, Luca; Caliandro, Rocco; van Beek, Wouter; Chernyshov, Dmitry; Milanesio, Marco
• Journal of publication: Acta Crystallographica Section A Foundations and Advances
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 2
• a: 24.94919 ± 0.00016 Å
• b: 24.94919 ± 0.00016 Å
• c: 24.94919 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15529.9 ± 0.17 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.2438
• Weighted residual factors for all reflections included in the refinement: 0.2651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.70158 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No