Information card for entry 4003376

Structure parameters

• Formula: C6 H18 I8 N2 O2 Pb3
• Calculated formula: C6 H17.5 I8 N2 O2 Pb3
• Title of publication: Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium
• Authors of publication: Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 5237
• a: 21.822 ± 0.004 Å
• b: 4.5979 ± 0.0009 Å
• c: 16.653 ± 0.003 Å
• α: 90°
• β: 101.8 ± 0.03°
• γ: 90°
• Cell volume: 1635.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.11
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.9699 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No