Information card for entry 7123530

Structure parameters

• Chemical name: MA2CoBr4
• Formula: C2 H12 Br4 Co N2
• Calculated formula: C2 H12 Br4 Co N2
• Title of publication: MA2CoBr4: lead-free cobalt-based perovskite for electrochemical conversion of water to oxygen
• Authors of publication: Babu, Ramavath; Vardhaman, Anil Kumar; Dhavale, Vishal M.; Giribabu, Lingamallu; Singh, Surya Prakash
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.946 ± 0.004 Å
• b: 13.016 ± 0.006 Å
• c: 11.246 ± 0.004 Å
• α: 90°
• β: 96.419 ± 0.013°
• γ: 90°
• Cell volume: 1155.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No