Information card for entry 7051997

Structure parameters

• Chemical name: bis(octadecylammonium)tetraiodoplumbate(II)
• Formula: C36 H80 I4 N2 Pb
• Calculated formula: C36 H80 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: 8.6917 ± 0.0009 Å
• b: 9.0456 ± 0.001 Å
• c: 31.424 ± 0.004 Å
• α: 90°
• β: 91.586 ± 0.008°
• γ: 90°
• Cell volume: 2469.7 ± 0.5 ų
• Cell temperature: 348 ± 2 K
• Ambient diffraction temperature: 348 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No