Information card for entry 4003233

Structure parameters

• Formula: C6 I5 Pb2 S4
• Calculated formula: C6 I5 Pb2 S4
• Title of publication: (TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures
• Authors of publication: Evans, Hayden A.; Lehner, Anna J.; Labram, John G.; Fabini, Douglas H.; Barreda, Omar; Smock, Sara R.; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram; Wudl, Fred
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3607
• a: 12.9 ± 0.03 Å
• b: 7.972 ± 0.01 Å
• c: 20.23 ± 0.02 Å
• α: 90°
• β: 100.25 ± 0.07°
• γ: 90°
• Cell volume: 2047 ± 6 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• 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: 0.203
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No