Information card for entry 4132094

Structure parameters

• Chemical name: tetra(butylammonium) octabromoargentobismuthate
• Formula: C16 H48 Ag Bi Br8 N4
• Calculated formula: C16 H48 Ag Bi Br8 N4
• Title of publication: Layered Halide Double Perovskites: Dimensional Reduction of Cs₂AgBiBr₆.
• Authors of publication: Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 15
• Pages of publication: 5235 - 5240
• a: 27.0451 ± 0.0015 Å
• b: 8.1328 ± 0.0004 Å
• c: 8.4296 ± 0.0004 Å
• α: 90°
• β: 90.081 ± 0.004°
• γ: 90°
• Cell volume: 1854.11 ± 0.16 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.9919 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No