Information card for entry 4003872

Structure parameters

• Formula: C0.8 H1.5 F0.09 N0.2 O2 Si
• Calculated formula: C0.8 H1.5 F0.088 N0.2 O2 Si
• 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: 11.881 ± 0.002 Å
• b: 11.881 ± 0.002 Å
• c: 29.696 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3630.2 ± 1.1 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No