Information card for entry 1562561

Structure parameters

• Formula: C16 Cl8 Cu1.55 In0.45 N4
• Calculated formula: C16 Cl8 Cu1.553 In0.447 N4
• Title of publication: Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption
• Authors of publication: Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 7.4458 ± 0.0006 Å
• b: 7.6348 ± 0.0006 Å
• c: 15.5065 ± 0.0015 Å
• α: 89.97 ± 0.006°
• β: 76.106 ± 0.006°
• γ: 89.921 ± 0.005°
• Cell volume: 855.71 ± 0.13 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2586
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No