Information card for entry 7714396

Structure parameters

• Formula: C23 H49 Dy3 N8 O21
• Calculated formula: C23 H49 Dy3 N8 O21
• SMILES: [Dy]1234567([O]89[Dy]%10%11%12%13([O]%14[Dy]%15%16%17%188([O]2%11CC[N]7(CC[N]6(CC[OH]4)CC[O]1%10)CCO3)([OH]CC[N]%18(CC[N]%17(CC%14)CC[OH]%15)CC9)ON(=O)=[O]%16)([O]=N(=O)O%12)ON(=[O]%13)=O)[O]=N(=O)O5.O=C(C)C
• Title of publication: Reversible single-crystal to single-crystal transformation between triangular single-molecule toroics
• Authors of publication: Feng, Lixi; Yang, Yue; Wang, Yu-Xia; Zhao, Yizhen; Liu, Zhong-Yi; Cong, Junzhuang; Zhang, Yi-Quan; Cheng, Peng
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.8703 ± 0.0008 Å
• b: 11.8756 ± 0.0009 Å
• c: 15.4895 ± 0.0007 Å
• α: 102.276 ± 0.005°
• β: 107.969 ± 0.005°
• γ: 100.557 ± 0.006°
• Cell volume: 1955.4 ± 0.2 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No