Information card for entry 4003006

Structure parameters

• Formula: C2 H14 I4 N4 Pb
• Calculated formula: C2 H12.9572 I4 N4 Pb
• Title of publication: Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions
• Authors of publication: Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 8563
• a: 18.6809 ± 0.0009 Å
• b: 19.188 ± 0.003 Å
• c: 12.7644 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4575.4 ± 0.8 ų
• Cell temperature: 280 ± 0.1 K
• Ambient diffraction temperature: 280 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No