Information card for entry 1562562

Structure parameters

• Formula: C12 H14 Cl6 Cu0.78 In0.22 N2
• Calculated formula: C12 H14 Cl6 Cu0.781 In0.219 N2
• 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: 7.4183 ± 0.0004 Å
• b: 32.1336 ± 0.0018 Å
• c: 7.259 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1730.38 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No