Information card for entry 4003873

Structure parameters

• Formula: C8 H15 F0.89 N2 O20 Si10
• Calculated formula: C8 H15 F0.893 N2 O20 Si10
• Title of publication: Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology
• Authors of publication: Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 11.9347 ± 0.0018 Å
• b: 11.9347 ± 0.0018 Å
• c: 29.53 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3642.6 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No