Information card for entry 4518410

Structure parameters

• Formula: C20 H48 Ca I6 N4 O6 Pb2 S2
• Calculated formula: C20 H48 Ca I6 N4 O6 Pb2 S2
• Title of publication: Partial Substitution of Pb2+ in CsPbI3 as an Efficient Strategy To Design Fairly Stable All-Inorganic Perovskite Formulations
• Authors of publication: Ustinova, Marina I.; Mikheeva, Maria M.; Shilov, Gennadii V.; Dremova, Nadezhda N.; Frolova, Lyubov; Stevenson, Keith J.; Aldoshin, Sergey M.; Troshin, Pavel A.
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2021
• a: 24.888 ± 0.0008 Å
• b: 22.1779 ± 0.0006 Å
• c: 8.1145 ± 0.0002 Å
• α: 90°
• β: 96.663 ± 0.003°
• γ: 90°
• Cell volume: 4448.7 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No