Information card for entry 7233891

Structure parameters

• Formula: C54 H52 Dy4 N26 O23
• Calculated formula: C54 H52 Dy4 N26 O23
• SMILES: [Dy]12345([n]6ccccc6c6n1[n]1[Dy]789([OH][Dy]%10%11%12%13([OH]7)([n]7ccccc7c7n%10[n]%10[Dy]%14%15%16([n]%17c(c%10n7)cccc%17)([n]7n%12c(nc7c7[n]%14cccc7)c7[n]%11cccc7)([O]=N(=O)O%15)(ON(=[O]%16)=O)[OH]CC)ON(=[O]%13)=O)([n]7c(c1n6)cccc7)([n]1n3c(nc1c1[n]8cccc1)c1[n]2cccc1)ON(=[O]9)=O)(ON(=[O]4)=O)(ON(=[O]5)=O)[OH]CC.OCC
• Title of publication: A zigzag DyIII4 cluster exhibiting single-molecule magnet, ferroelectric and white-light emitting properties
• Authors of publication: Peng-Hu Guo; Yan Meng; Yan-Cong Chen; Quan-Wen Li; Bao-Ying Wang; Ji-Dong Leng; Ding-Hua Bao; Jian-Hua Jia; Ming-Liang Tong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 8858 - 8864
• a: 13.7842 ± 0.0019 Å
• b: 20.256 ± 0.003 Å
• c: 24.952 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6966.9 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No