Information card for entry 4003404

Structure parameters

• Formula: C8 H24 I4 N2 Pb
• Calculated formula: C8 H24 I4 N2 Pb
• 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: 13.799 ± 0.003 Å
• b: 8.966 ± 0.002 Å
• c: 8.758 ± 0.002 Å
• α: 90°
• β: 108.245 ± 0.008°
• γ: 90°
• Cell volume: 1029.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0697
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No