Information card for entry 4345838

Structure parameters

• Chemical name: DMAPbI3
• Formula: C2 H8 I3 N Pb
• Calculated formula: C2 H8 I3 N Pb
• Title of publication: Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH3)2NH2]PbI3 Organic-Inorganic Hybrid with 2H-Hexagonal Perovskite Structure.
• Authors of publication: García-Fernández, A; Bermúdez-García, J M; Castro-García, S; Llamas-Saiz, A L; Artiaga, R.; López-Beceiro, J; Hu, S.; Ren, W.; Stroppa, A.; Sánchez-Andújar, M; Señarís-Rodríguez, M A
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 4918 - 4927
• a: 8.9303 ± 0.0006 Å
• b: 14.691 ± 0.0009 Å
• c: 7.979 ± 0.0005 Å
• α: 90°
• β: 95.994 ± 0.004°
• γ: 90°
• Cell volume: 1041.08 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No