Information card for entry 1544657

Structure parameters

• Common name: bis(6-iodohexylammonium) tetraiodoplumbate
• Chemical name: bis(6-iodohexan-1-aminium) tetraiodoplumbate
• Formula: C12 H30 I6 N2 Pb
• Calculated formula: C12 H30 I6 N2 Pb
• Title of publication: Decreasing the electronic confinement in layered perovskites through intercalation.
• Authors of publication: Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I.
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 1960 - 1968
• a: 9.0651 ± 0.0011 Å
• b: 8.8852 ± 0.001 Å
• c: 33.617 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2707.7 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.043
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No