Information card for entry 7060735

Structure parameters

• Formula: C3 H10 Br3 N O3 Pb
• Calculated formula: C3 H10 Br3 N O3 Pb
• Title of publication: Chiral organic‒inorganic lead halide perovskites based on α-alanine
• Authors of publication: Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 12606 - 12612
• a: 21.8559 ± 0.0018 Å
• b: 6.0868 ± 0.0006 Å
• c: 8.7692 ± 0.0008 Å
• α: 90°
• β: 93.177 ± 0.008°
• γ: 90°
• Cell volume: 1164.8 ± 0.18 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: 0.0694
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No