Information card for entry 2107270

Structure parameters

• Common name: 1,2-Bis(4-pyridyl)ethane lead iodide
• Formula: C18 H26 I6 N4 O2 Pb2
• Calculated formula: C18 H26 I6 N4 O2 Pb2
• SMILES: [Pb]12([I][Pb]([I]1)[I]2)(I)(I)I.O=CN(C)C.O=CN(C)C.[nH+]1ccc(CCc2cc[nH+]cc2)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: 11.8465 ± 0.0004 Å
• b: 17.6887 ± 0.0006 Å
• c: 8.1762 ± 0.0003 Å
• α: 90°
• β: 98.798 ± 0.003°
• γ: 90°
• Cell volume: 1693.16 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes