Information card for entry 4517474

Structure parameters

• Formula: C16 H22 F2 I4 N2 Pb
• Calculated formula: C16 H21.9984 F2 I4 N2 Pb
• Title of publication: Tailoring Hot Exciton Dynamics in 2D Hybrid Perovskites through Cation Modification.
• Authors of publication: Straus, Daniel B.; Hurtado Parra, Sebastian; Iotov, Natasha; Zhao, Qinghua; Gau, Michael R.; Carroll, Patrick J.; Kikkawa, James M.; Kagan, Cherie R.
• Journal of publication: ACS nano
• Year of publication: 2020
• a: 32.8889 ± 0.0014 Å
• b: 6.179 ± 0.0003 Å
• c: 6.0988 ± 0.0003 Å
• α: 90°
• β: 89.989 ± 0.002°
• γ: 90°
• Cell volume: 1239.4 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0597
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No