Information card for entry 4131513

Structure parameters

• Common name: Ethylammonium Lead Chloride
• Formula: C8 H32 Cl10 N4 Pb3
• Calculated formula: C8 H32 Cl10 N4 Pb3
• SMILES: C(C)[NH3+].C([NH3+])C.Cl[Pb](Cl)[Cl-].[Pb](Cl)(Cl)[Cl-].C(C)[NH3+].C(C)[NH3+].Cl[Pb](Cl)([Cl-])[Cl-]
• Title of publication: Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH₃CH₂NH₃)₄Pb₃Br_10-xCl_x.
• Authors of publication: Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Traore, Boubacar; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 34
• Pages of publication: 11956 - 11963
• a: 8.024 ± 0.008 Å
• b: 45.498 ± 0.007 Å
• c: 8.08 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2950 ± 11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: A 21 m a
• Hall space group symbol: A -2a 2a
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for significantly intense reflections: 2.99
• Goodness-of-fit parameter for all reflections included in the refinement: 2.5
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No