Information card for entry 4003209

Structure parameters

• Formula: C0.17 H0.5 F0.1 N0.04 O2 Si
• Calculated formula: C0.1666 H0.4998 F0.10325 N0.0416667 O2 Si
• Title of publication: Facile Synthesis and Catalysis of Pure-Silica and Heteroatom LTA
• Authors of publication: Boal, Ben W.; Schmidt, Joel E.; Deimund, Mark A.; Deem, Michael W.; Henling, Lawrence M.; Brand, Stephen K.; Zones, Stacey I.; Davis, Mark E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 7774
• a: 11.824 ± 0.005 Å
• b: 11.824 ± 0.005 Å
• c: 11.824 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1653.1 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No