Information card for entry 2102943

Structure parameters

• Chemical name: bis(hexylammonium)tetraiodoplumbate(II)
• Formula: C12 H32 I4 N2 Pb
• Calculated formula: C12 H32 I4 N2 Pb
• Title of publication: Synthesis, characterization and phase transitions in the inorganic‒organic layered perovskite-type hybrids [(C~<i>n~</i>H~2<i>n~+1</i>NH~3~)~2~PbI~4~], <i>n</i> = 4, 5 and 6
• Authors of publication: Billing, David G.; Lemmerer, Andreas
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: 735 - 747
• a: 8.9413 ± 0.0002 Å
• b: 8.6874 ± 0.0002 Å
• c: 32.7027 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2540.24 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No