Information card for entry 1550823

Structure parameters

• Chemical name: Hydroxylammonium lead iodide
• Formula: C6 H20 I3 N O3 Pb S
• Calculated formula: C6 H20 I3 N O3 Pb S
• Title of publication: Synthesis, physico-chemical characterization and structure of the elusive hydroxylammonium lead iodide perovskite NH₃OHPbI₃.
• Authors of publication: D'Annibale, Andrea; Panetta, Riccardo; Tarquini, Ombretta; Colapietro, Marcello; Quaranta, Simone; Cassetta, Alberto; Barba, Luisa; Chita, Giuseppe; Latini, Alessandro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 16
• Pages of publication: 5397 - 5407
• a: 7.92 ± 0.006 Å
• b: 9.03 ± 0.004 Å
• c: 10.77 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 770.2 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No