Information card for entry 7231905

Structure parameters

• Formula: C H6 Cl3 N Pb
• Calculated formula: C1.0008 Cl3 N1.0008 Pb
• Title of publication: Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method
• Authors of publication: Nandi, Pronoy; Giri, Chandan; Swain, Diptikanta; Manju, U.; Topwal, Dinesh
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 4
• Pages of publication: 656
• a: 5.6867 ± 0.0003 Å
• b: 5.6867 ± 0.0003 Å
• c: 5.6867 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 183.9 ± 0.017 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No