Information card for entry 4003401

Structure parameters

• Formula: C20 H1.25 I10 N6 Pb3
• Calculated formula: C16 H32 I10 N4 Pb3
• Title of publication: General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium
• Authors of publication: Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 23
• Pages of publication: 8606
• a: 54.188 ± 0.004 Å
• b: 8.9661 ± 0.0006 Å
• c: 8.7984 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4274.7 ± 0.5 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No