Information card for entry 1573612

Structure parameters

• Formula: C16 H36 Br5 Ce O8 Zn
• Calculated formula: C16 H36 Br5 Ce O8 Zn
• SMILES: [Ce]12345(Br)([OH]C)([O]6[C@H]([C@@H]([O]3CC[O]2CC[O]4CC[O]5CC[O]1CC6)C)C)[OH]C.[Br-][Zn](Br)(Br)[Br-]
• Title of publication: Structural Relaxation Chirality Transfer Enhanced Circularly Polarized Luminescence in Heteronuclear CeIII-MnII Complexes
• Authors of publication: Liu, Huanyu; Yu, Gang; Huo, Peihao; Guo, Ruoyao; Li, Yujia; Qi, Hao; Zheng, Jiayin; Jin, Tong; Zhao, Zifeng; Bian, Zuqiang; Liu, Zhiwei
• Journal of publication: Materials Horizons
• Year of publication: 2025
• a: 10.2108 ± 0.00016 Å
• b: 10.2108 ± 0.00016 Å
• c: 58.9846 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6149.8 ± 0.2 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No