Information card for entry 7246424

Structure parameters

• Chemical name: C4H11CdCl4N
• Formula: C4 H11 Cd Cl4 N
• Calculated formula: C4 H11 Cd Cl4 N
• Title of publication: High stability and moderate second-order nonlinear optical properties of hybrid lead-free perovskite [(CH3)3NCH2Cl]CdCl3 bulk crystals
• Authors of publication: Shen, Chuanying; Liu, Jie; Wu, Kui; Xu, Longyun; Sun, Defu; Dang, Yangyang; Wang, Jiyang; Wang, Duanliang
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 2264 - 2270
• a: 9.4797 ± 0.001 Å
• b: 15.7695 ± 0.0016 Å
• c: 6.796 ± 0.0008 Å
• α: 90°
• β: 94.474 ± 0.004°
• γ: 90°
• Cell volume: 1012.84 ± 0.19 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No