Information card for entry 2107273

Structure parameters

• Common name: piperazinium lead iodide
• Formula: C3.2 H9.6 I2.4 N1.6 Pb0.4
• Calculated formula: C3.2 H9.6 I2.4 N1.6 Pb0.4
• Title of publication: Structural diversity in hybrid organic‒inorganic lead iodide materials
• Authors of publication: Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: 668 - 678
• a: 9.8058 ± 0.0003 Å
• b: 9.2603 ± 0.0003 Å
• c: 12.4081 ± 0.0004 Å
• α: 90°
• β: 93.553 ± 0.003°
• γ: 90°
• Cell volume: 1124.55 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes