Information card for entry 2022285

Structure parameters

• Common name: Bis(3-fluorocyclobutylammonium) tetraiodidoplumbate(VI)
• Chemical name: Poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]
• Formula: C8 H18 F2 I4 N2 Pb
• Calculated formula: C8 H18 F2 I4 N2 Pb
• Title of publication: A two-dimensional organic‒inorganic lead iodide perovskite: poly[bis(3-fluorocyclobutylammonium) [di-μ-iodido-diiodidoplumbate(VI)]]
• Authors of publication: Huang, Chao-Ran; Li, Peng-Fei; Luo, Xu-Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 12
• Pages of publication: 1096 - 1099
• a: 13.6842 ± 0.0005 Å
• b: 8.5302 ± 0.0003 Å
• c: 8.9518 ± 0.0003 Å
• α: 90°
• β: 107.996 ± 0.004°
• γ: 90°
• Cell volume: 993.81 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes