Information card for entry 4133843

Structure parameters

• Formula: C28 H56 Cs N12 O24 Sm
• Calculated formula: C28 H56 Cs N12 O24 Sm
• SMILES: N(=O)(=O)[O-].C1C2CC[NH+](C1)CC2.C1C2CC[NH+](C1)CC2.[Cs+].[O]=N1=[O][Sm]23456(ON(=[O]2)=O)([O]=N(=O)O3)([O]=N(=O)O6)(ON(=O)=[O]5)(ON(=[O]4)=O)O1.N(=O)(=O)[O-].[NH+]12CCC(CC1)CC2.[NH+]12CCC(CC1)CC2
• 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: 10.1944 ± 0.0003 Å
• b: 10.0003 ± 0.0003 Å
• c: 22.7549 ± 0.0005 Å
• α: 90°
• β: 91.693 ± 0.002°
• γ: 90°
• Cell volume: 2318.78 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No