Information card for entry 4349562

Structure parameters

• Formula: C66 H66 Dy2 Mn2 N8 O20
• Calculated formula: C66 H66 Dy2 Mn2 N8 O20
• SMILES: N1(=[O][Dy]23456([O]7c8c([O]2CC)cccc8C=[N]2c8c([O]([Dy]9%10%11%12%13([N](c%14c(cccc%14)[O]9[Mn]9%14([N](c%15c([O]69)cccc%15)=Cc6cccc([O]%12CC)c6[O]%11%14)[O]=CN(C)C)=Cc6cccc(OCC)c6O%10)ON(=[O]%13)=O)[Mn]72([O]4c2ccccc2[N]3=Cc2cccc(OCC)c2O5)[O]=CN(C)C)cccc8)O1)=O
• Title of publication: Tuning quantum tunnelling of magnetization through 3d‒4f magnetic interactions: an alternative approach for manipulating single-molecule magnetism
• Authors of publication: Li, Jing; Wei, Rong-Min; Pu, Tian-Cheng; Cao, Fan; Yang, Li; Han, Yuan; Zhang, Yi-Quan; Zuo, Jing-Lin; Song, You
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 114
• a: 10.97 ± 0.002 Å
• b: 16.084 ± 0.003 Å
• c: 20.34 ± 0.003 Å
• α: 90°
• β: 114.546 ± 0.007°
• γ: 90°
• Cell volume: 3264.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No