Information card for entry 7711440

Structure parameters

• Formula: C12 H20.44 I4 N6 O4.22 Pb
• Calculated formula: C12 H20.44 I4 N6 O4.22 Pb
• Title of publication: Chiral 2D organic-inorganic hybrid perovskites based upon L-histidine
• Authors of publication: Sirenko, Valerii Y.; Kucheriv, Olesia I.; Gumienna-Kontecka, Elzbieta; Shova, Sergiu; Gural'skiy, Il'ya A.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.3053 ± 0.0015 Å
• b: 9.533 ± 0.0018 Å
• c: 30.667 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2428 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No