Information card for entry 4004065

Structure parameters

• Formula: C24 H22 Cd I4 N4 O2
• Calculated formula: C24 H22 Cd I4 N4 O2
• SMILES: c1c[n+](ccc1)/N=C/c1c(cccc1)O.c1cccc[n+]1/N=C/c1c(cccc1)O.[Cd](I)(I)([I-])[I-]
• Title of publication: A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric
• Authors of publication: Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia
• Journal of publication: Chemistry of Materials
• Year of publication: 2022
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 1737 - 1745
• a: 20.5433 ± 0.0007 Å
• b: 9.6018 ± 0.0003 Å
• c: 15.8277 ± 0.0004 Å
• α: 90°
• β: 102.817 ± 0.003°
• γ: 90°
• Cell volume: 3044.27 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No