Information card for entry 4003007

Structure parameters

• Formula: C2 H14 I4 N4 Pb
• Calculated formula: C2 H14 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: 18.466 ± 0.0007 Å
• b: 19.0768 ± 0.0011 Å
• c: 12.638 ± 0.001 Å
• α: 89.996 ± 0.004°
• β: 90.032 ± 0.005°
• γ: 90.004 ± 0.005°
• Cell volume: 4452 ± 0.5 ų
• Cell temperature: 99.98 ± 0.13 K
• Ambient diffraction temperature: 99.98 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No