Information card for entry 1558867

Structure parameters

• Formula: Cl6 Cs5 Cu3 I2
• Calculated formula: Cl6 Cs5 Cu3 I2
• SMILES: [Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[I]1[Cu](Cl)(Cl)[I]([Cu]1(Cl)Cl)[Cu](Cl)(Cl)[I]1[Cu](Cl)(Cl)[I]([Cu]1(Cl)Cl)[Cu](Cl)Cl
• Title of publication: A Highly Efficient and Stable Blue-Emitting Cs5Cu3Cl6I2 with a 1D Chain Structure
• Authors of publication: Jiangwei Li, Takeshi Inoshita, Tianping Ying, Atsushi Ooishi, Junghwan Kim, Hideo Hosono
• Journal of publication: Advanced Materials
• Year of publication: 2020
• Pages of publication: 2002945
• a: 16.896 ± 0.003 Å
• b: 9.1399 ± 0.0018 Å
• c: 14.033 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2167.1 ± 0.7 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No