Information card for entry 7122921

Structure parameters

• Formula: C40 H40 I4 N2 Pb
• Calculated formula: C40 H40 I4 N2 Pb
• Title of publication: Towards 2D layered hybrid perovskites with enhanced functionality: introducing charge-transfer complexes via self-assembly
• Authors of publication: Van Gompel, Wouter T.M.; Herckens, Roald; Van Hecke, Kristof; Ruttens, Bart; D'Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 25.0798 ± 0.0003 Å
• b: 8.7036 ± 0.0001 Å
• c: 8.7625 ± 0.0001 Å
• α: 90°
• β: 92.653 ± 0.001°
• γ: 90°
• Cell volume: 1910.67 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0247
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No