Information card for entry 7237999

Structure parameters

• Formula: C21.28 Cl8 N4 Pb2 S2.72
• Calculated formula: C21.28 Cl8 N4 Pb2 S2.72
• Title of publication: Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites
• Authors of publication: Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 38
• Pages of publication: 11964
• a: 32.397 ± 0.007 Å
• b: 7.7997 ± 0.0013 Å
• c: 7.7943 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1969.5 ± 0.6 ų
• Cell temperature: 415 K
• Ambient diffraction temperature: 415 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No