Information card for entry 8000277

Structure parameters

• Formula: C4 H9 Cu N3 O6
• Calculated formula: C4 H9 Cu N3 O6
• Title of publication: Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.
• Authors of publication: Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2018
• Pages of publication: 751 - 755
• a: 8.5009 ± 0.0003 Å
• b: 9.0436 ± 0.0004 Å
• c: 11.3352 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 871.44 ± 0.06 ų
• Cell temperature: 180.02 ± 0.02 K
• Ambient diffraction temperature: 180.02 ± 0.02 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No