Information card for entry 4004068

Structure parameters

• Formula: C24 H22 Br4 Cd N4 O2
• Calculated formula: C24 H22 Br4 Cd N4 O2
• SMILES: Br[Cd](Br)([Br-])[Br-].C(/c1c(cccc1)O)=N\[n+]1ccccc1.C(=N\[n+]1ccccc1)/c1c(cccc1)O
• 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: 9.2789 ± 0.0004 Å
• b: 9.3226 ± 0.0004 Å
• c: 16.7163 ± 0.0006 Å
• α: 97.28 ± 0.003°
• β: 90.319 ± 0.003°
• γ: 94.783 ± 0.004°
• Cell volume: 1429.18 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1532
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No