Information card for entry 7051995

Structure parameters

• Chemical name: bis(hexadecylammonium)tetraiodoplumbate(II)
• Formula: C32 H72 I4 N2 Pb
• Calculated formula: C32 H72 I4 N2 Pb
• Title of publication: Synthesis, characterization and phase transitions of the inorganic‒organic layered perovskite-type hybrids [(CnH2n+1NH3)2PbI4] (n = 12, 14, 16 and 18)
• Authors of publication: Billing, David G.; Lemmerer, Andreas
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 1736
• a: 8.673 ± 0.002 Å
• b: 9.012 ± 0.003 Å
• c: 28.846 ± 0.008 Å
• α: 90°
• β: 91.816 ± 0.006°
• γ: 90°
• Cell volume: 2253.5 ± 1.1 ų
• Cell temperature: 341 ± 2 K
• Ambient diffraction temperature: 341 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No