Information card for entry 4133849

Structure parameters

• Formula: C28 H60 Ce N13 O28
• Calculated formula: C28 H60 Ce N13 O28
• SMILES: [Ce]123456([O]=N(O6)=O)(ON(=O)=[O]4)([O]=N(=O)O3)(ON(=[O]1)=O)(ON(=[O]2)=O)[O]=N(=O)O5.[NH4+].[NH+]12CCC(CC1)[C@H](C2)O.[NH+]12CCC(CC1)[C@H](C2)O.[NH+]12CCC([C@@H](O)C2)CC1.O=N(=O)[O-].C1[NH+]2CCC(CC2)[C@H]1O.O=N(=O)[O-]
• Title of publication: Two-Dimensional Organic-Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics.
• Authors of publication: Shi, Chao; Ye, Le; Gong, Zhi-Xin; Ma, Jia-Jun; Wang, Qin-Wen; Jiang, Jia-Ying; Hua, Miao-Miao; Wang, Chang-Feng; Yu, Hui; Zhang, Yi; Ye, Heng-Yun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 10.0274 ± 0.0004 Å
• b: 20.2215 ± 0.0006 Å
• c: 12.582 ± 0.0005 Å
• α: 90°
• β: 112.187 ± 0.005°
• γ: 90°
• Cell volume: 2362.34 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.1327
• Weighted residual factors for significantly intense reflections: 0.3306
• Weighted residual factors for all reflections included in the refinement: 0.3374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No