Information card for entry 4517594

Structure parameters

• Common name: Butylammonium Lead Chloride
• Formula: C8 H24 Cl4 N2 Pb
• Calculated formula: C8 H24 Cl4 N2 Pb
• Title of publication: Exploring the Factors Affecting the Mechanical Properties of 2D Hybrid Organic-Inorganic Perovskites.
• Authors of publication: Tu, Qing; Spanopoulos, Ioannis; Vasileiadou, Eugenia Savvas; Li, Xiaotong; Kanatzidis, Mercouri G.; Shekhawat, Gajendra S.; Dravid, Vinayak P.
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 27.9864 ± 0.0007 Å
• b: 7.987 ± 0.004 Å
• c: 7.8338 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1751.1 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for significantly intense reflections: 1.72
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71359 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No