Information card for entry 4004062

Structure parameters

• Formula: C4 H10 I3 N O Pb
• Calculated formula: C4 H10 I3 N O Pb
• Title of publication: Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning
• Authors of publication: Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2022
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 756 - 767
• a: 8.1767 ± 0.0003 Å
• b: 8.7039 ± 0.0004 Å
• c: 16.5225 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1175.89 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for all reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No