Information card for entry 4349563

Structure parameters

• Formula: C62 H60 Dy2 N6 O20 Zn2
• Calculated formula: C62 H60 Dy2 N6 O20 Zn2
• SMILES: c12ccccc1[N]1[Dy]3456([O]72[Zn]289([O]3c3c(C=[N]2c2c([O]8[Dy]8%10%11%12%13([N](c%14c(cccc%14)[O]98[Zn]897([N](c7c([O]68)cccc7)=Cc6cccc([O]%11CC)c6[O]9%13)[OH]C)=Cc6cccc(OCC)c6O%10)ON(=[O]%12)=O)cccc2)cccc3[O]4CC)[OH]C)(Oc2c(C=1)cccc2OCC)ON(=[O]5)=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: 11.4697 ± 0.0013 Å
• b: 11.6701 ± 0.0014 Å
• c: 13.4425 ± 0.0016 Å
• α: 86.002 ± 0.002°
• β: 66.152 ± 0.002°
• γ: 68.286 ± 0.002°
• Cell volume: 1522.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No