Information card for entry 7713367

Structure parameters

• Formula: C20 H48 Br10 N4 O12 Pb3
• Calculated formula: C20 H48 Br10 N4 O12 Pb3
• Title of publication: Structural diversity in proline-based lead bromide chiral perovskites
• Authors of publication: Sirenko, Valerii Y.; Kucheriv, Olesia I.; Fritsky, Igor O.; Gumienna-Kontecka, Elzbieta; Dascalu, Andrei; Shova, Sergiu; Gural'skiy, Il'ya A.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 22.2582 ± 0.0005 Å
• b: 9.3625 ± 0.0003 Å
• c: 11.5564 ± 0.0004 Å
• α: 90°
• β: 92.508 ± 0.003°
• γ: 90°
• Cell volume: 2405.96 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No