Information card for entry 1548617

Structure parameters

• Formula: C16 H28 Ga I N O6
• Calculated formula: C16 H28 Ga I N O6
• SMILES: [I-].[Ga]123(OC(=CC(=[O]3)C)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]1)C)C.[NH3+]C
• Title of publication: In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells
• Authors of publication: Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.
• Journal of publication: Energy & Environmental Science
• Year of publication: 2018
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 286
• a: 12.3537 ± 0.0006 Å
• b: 12.2717 ± 0.0005 Å
• c: 15.5166 ± 0.0007 Å
• α: 90°
• β: 112.273 ± 0.006°
• γ: 90°
• Cell volume: 2176.82 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No