Information card for entry 2107268

Structure parameters

• Common name: 4,4'-bipyridyl lead iodide
• Formula: C10 H10 I4 N2 Pb
• Calculated formula: C10 H10 I4 N2 Pb
• SMILES: [Pb]1([I][Pb]([I]1)(I)I)(I)(I)(I)I.[nH+]1ccc(cc1)c1cc[nH+]cc1.[nH+]1ccc(cc1)c1cc[nH+]cc1
• 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: 7.7839 ± 0.0003 Å
• b: 14.1821 ± 0.0005 Å
• c: 15.3644 ± 0.0007 Å
• α: 90°
• β: 90.434 ± 0.004°
• γ: 90°
• Cell volume: 1696.06 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes