Information card for entry 2311100

Structure parameters

• Chemical name: Na Zeolite Y * CO2
• Formula: C0.34 Al0 Na0.36 O2.57 Si
• Calculated formula: C0.336 Na0.360083 O2.57367 Si
• 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: 24.86059 ± 0.00015 Å
• b: 24.86059 ± 0.00015 Å
• c: 24.86059 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15365.1 ± 0.16 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0813
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.70158 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No