Information card for entry 4002669

Structure parameters

• Formula: C54 H84 I14 N6 Pb4
• Calculated formula: C54 H84 I14 N6 Pb4
• Title of publication: Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids
• Authors of publication: Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 4554
• a: 8.5278 ± 0.0008 Å
• b: 29.824 ± 0.003 Å
• c: 33.208 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8445.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No