Information card for entry 4349561

Structure parameters

• Formula: C78 H94 Co2 Dy2 N12 O24
• Calculated formula: C78 H94 Co2 Dy2 N12 O24
• SMILES: c12ccccc1[N]1=Cc3c(O[Dy]45671([O]12[Co]289([N](c%10c([O]2[Dy]2%11%12%13%14([N](c%15c(cccc%15)[O]92[Co]291([N](c1c([O]72)cccc1)=Cc1cccc([O]%13CC)c1[O]%129)[O]=CN(C)C)=Cc1cccc(OCC)c1O%11)ON(=[O]%14)=O)cccc%10)=Cc1cccc([O]5CC)c1[O]48)[O]=CN(C)C)ON(=[O]6)=O)c(OCC)ccc3.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
• 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: 11.8868 ± 0.0011 Å
• b: 11.8963 ± 0.0011 Å
• c: 14.6976 ± 0.0013 Å
• α: 90.589 ± 0.002°
• β: 94.01 ± 0.002°
• γ: 98.338 ± 0.003°
• Cell volume: 2050.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0981
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No