Information card for entry 7133780

Structure parameters

• Formula: C6 Cl4 Ga N
• Calculated formula: C6 Cl3.9996 Ga N
• Title of publication: An organic-inorganic hybrid perovskite material [Me₃NCMe₃]GaCl₄ exhibits a two-step off-on-off SHG response with a large temperature interval.
• Authors of publication: Yang, Zhao; Zeng, Yiyi; Chen, Guoyong; Sun, Xiao; Zhang, Haina; Cai, Hu; Wei, Zhenhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 83
• Pages of publication: 11992 - 11995
• a: 7.2333 ± 0.0005 Å
• b: 7.2333 ± 0.0005 Å
• c: 7.2333 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 378.45 ± 0.05 ų
• Cell temperature: 349.98 ± 0.1 K
• Ambient diffraction temperature: 350 K
• Number of distinct elements: 4
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.2662
• Residual factor for significantly intense reflections: 0.1939
• Weighted residual factors for significantly intense reflections: 0.5625
• Weighted residual factors for all reflections included in the refinement: 0.5991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No