Information card for entry 8000389

Structure parameters

• Formula: C40 H54 Cl I3 N4 O2 Pb
• Calculated formula: C40 H54 Cl I3 N4 O2 Pb
• Title of publication: One-Dimensional Organic-Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations.
• Authors of publication: Véron, Anna C; Linden, Anthony; Leclaire, Nicolas A.; Roedern, Elsa; Hu, Shunbo; Ren, Wei; Rentsch, Daniel; Nüesch, Frank A
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 2438 - 2442
• a: 16.3649 ± 0.0007 Å
• b: 33.5729 ± 0.001 Å
• c: 8.0898 ± 0.0003 Å
• α: 90°
• β: 97.21 ± 0.004°
• γ: 90°
• Cell volume: 4409.5 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• 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: 0.0658
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No