Information card for entry 7106246

Structure parameters

• Formula: C0.5 H0.5 As0.95 Be1.05 N0.16 O4.78
• Calculated formula: C0.5 H0.5 As0.9485 Be1.0515 N0.165 O4.78
• Title of publication: Berylloarsenates ‒ new frameworks, building units and an unusual zeotype
• Authors of publication: Littlefield, Benjamin T. R.; Welle, Mark T.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4769 - 4771
• a: 16.9831 ± 0.0005 Å
• b: 16.9831 ± 0.0005 Å
• c: 12.7839 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3687.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 133
• Hermann-Mauguin space group symbol: P 42/n b c :2
• Hall space group symbol: -P 4ac 2b
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No