Information card for entry 1568070

Structure parameters

• Formula: C48 H108 Cl12 Cu3 N6
• Calculated formula: C48 H108 Cl12 Cu3 N6
• Title of publication: Second-order nonlinear optical properties of copper-based hybrid organic-inorganic perovskites induced by chiral amines.
• Authors of publication: Li, Bin; Yu, Ying; Xin, Mingyang; Xu, Jialiang; Zhao, Tianzhe; Kang, Huimin; Xing, Guoxiang; Zhao, Peisheng; Zhang, Tianyong; Jiang, Shuang
• Journal of publication: Nanoscale
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1595 - 1601
• a: 20.7149 ± 0.0013 Å
• b: 18.0468 ± 0.0008 Å
• c: 19.5556 ± 0.0013 Å
• α: 90°
• β: 107.343 ± 0.007°
• γ: 90°
• Cell volume: 6978.3 ± 0.8 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No