Information card for entry 1568071

Structure parameters

• Formula: C24 H28 Cl4 Cu N2
• Calculated formula: C24 H28 Cl4 Cu N2
• 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: 12.655 ± 0.0003 Å
• b: 7.1832 ± 0.0002 Å
• c: 13.9997 ± 0.0003 Å
• α: 90°
• β: 94.341 ± 0.002°
• γ: 90°
• Cell volume: 1268.97 ± 0.05 ų
• Cell temperature: 199.98 ± 0.1 K
• Ambient diffraction temperature: 199.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No