Information card for entry 4518730

Structure parameters

• Formula: C8 H24 I4 N2 Pb
• Calculated formula: C8 H24 I4 N2 Pb
• Title of publication: Strongly Anharmonic Octahedral Tilting in Two-Dimensional Hybrid Halide Perovskites
• Authors of publication: Menahem, Matan; Dai, Zhenbang; Aharon, Sigalit; Sharma, Rituraj; Asher, Maor; Diskin-Posner, Yael; Korobko, Roman; Rappe, Andrew M.; Yaffe, Omer
• Journal of publication: ACS Nano
• Year of publication: 2021
• a: 8.4223 ± 0.0002 Å
• b: 8.9958 ± 0.0002 Å
• c: 26.0751 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1975.59 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No