Information card for entry 7056459

Structure parameters

• Formula: C24 H56 N7 O15 Tb
• Calculated formula: C24 H56 N7 O15 Tb
• SMILES: C(CC)[N+](CCC)(CCC)CCC.C(CC)[N+](CCC)(CCC)CCC.N1(=[O][Tb]2345(O1)(ON(=[O]2)=O)(ON(=O)=[O]5)(ON(=[O]3)=O)ON(=[O]4)=O)=O
• Title of publication: Structural phase transitions, dielectric bistability and luminescence of two bulky ion-pair crystals [N(C3H7)4]2[Ln(NO3)5] (Ln = Tb, Dy)
• Authors of publication: Zhang, Shi-Yong; Liao, Jin-Sheng; Xu, Wei-Jian; Liang, Fu-Yong; Peng, Guang-Huai; Liu, Sui-Jun; Wen, He-Rui; Du, Zi-Yi
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 9963 - 9968
• a: 10.5797 ± 0.0014 Å
• b: 11.7633 ± 0.0015 Å
• c: 30.267 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3766.8 ± 0.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No