Information card for entry 4129206

Structure parameters

• Common name: OCA4AgBiBr8
• Formula: C32 H80 Ag Bi Br8 N4
• Calculated formula: C32 H80 Ag Bi Br8 N4
• Title of publication: Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides.
• Authors of publication: Mao, Lingling; Teicher, Samuel M. L.; Stoumpos, Constantinos C.; Kennard, Rhys M.; DeCrescent, Ryan A.; Wu, Guang; Schuller, Jon A.; Chabinyc, Michael L.; Cheetham, Anthony K.; Seshadri, Ram
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 8.2024 ± 0.0007 Å
• b: 8.1797 ± 0.0006 Å
• c: 21.1217 ± 0.0018 Å
• α: 90°
• β: 101.195 ± 0.003°
• γ: 90°
• Cell volume: 1390.2 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 10
• Hermann-Mauguin space group symbol: P 1 2/m 1
• Hall space group symbol: -P 2y
• Residual factor for all reflections: 0.1223
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2714
• Weighted residual factors for all reflections included in the refinement: 0.2752
• Goodness-of-fit parameter for significantly intense reflections: 5.54
• Goodness-of-fit parameter for all reflections included in the refinement: 4.65
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No