Information card for entry 4518409

Structure parameters

• Formula: C12 H36 Co I2 O6 S6
• Calculated formula: C12 H36 Co I2 O6 S6
• 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: 11.5721 ± 0.0001 Å
• b: 11.5721 ± 0.0001 Å
• c: 12.3576 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1433.14 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No