Information card for entry 1515480

Structure parameters

• Formula: C132 H198 Mn12 N8 O90 Y6
• Calculated formula: C127 H131 Mn12 N8 O71 Y6
• SMILES: [Y]123456([O]7[Mn]89%10%11[O]%12%13[Mn]%14%15%167[O]7[Y]%17%18%19%20([O]%21[Mn]%22%23%24%12[O]%12[Y]%25%26%27%28([O]%17[Mn]%17%29%13%12[O]%14[Y]%12%13%14%30([O]%15[Y]%15%31%32%33([O]%10[Mn]%10%34(O%11)(Oc%11c(cc(cc%11C=O)C)C=[N]%34CC[O]%10[Y]%10%11([O]9%22)([O]%23%15)([O]%31[Mn]9%15(Oc%22c(cc(cc%22C=O)C)C=[N]%15CC[O]%109)[O]=C(O%11)C)([O]=C([O]%24[Mn]9%10%21(Oc%11c(cc(cc%11C=O)C)C=[N]%10CC[O]%259)OC(=[O]%19)C)C)[OH2])[O]=C(O%33)C)([O]%17[Mn]9%10(O%29)(Oc%11c(cc(cc%11C=O)C)C=[N]%10CC[O]%139)[O]=C(O%32)C)[O]%12[Mn]9%10(Oc%11c(cc(cc%11C=O)C)C=[N]%10CC[O]%149)[O]=C(O%30)C)([O]=C([O]%16[Mn]9%107(Oc7c(cc(cc7C=O)C)C=[N]%10CC[O]39)OC(=[O]%20)C)C)[OH]C)([O]%18[Mn]37(Oc9c(cc(cc9C=O)C)C=[N]7CC[O]%263)[O]=C(O%28)C)Oc3c(cc(cc3C=O)C)C=[O]%27)([O]18)[O]2[Mn]12(Oc3c(cc(cc3C=O)C)C=[N]2CC[O]41)[O]=C(O6)C)Oc1c(cc(cc1C=O)C)C=[O]5
• Title of publication: Symmetry related [DyIII6MnIII12] cores with different magnetic anisotropies
• Authors of publication: Liu, Jun-Liang; Guo, Fu-Sheng; Meng, Zhao-Sha; Zheng, Yan-Zhen; Leng, Ji-Dong; Tong, Ming-Liang; Ungur, Liviu; Chibotaru, Liviu F.; Heroux, Katie J.; Hendrickson, David N.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 1268
• a: 19.8997 ± 0.0009 Å
• b: 21.3603 ± 0.0011 Å
• c: 26.7219 ± 0.0012 Å
• α: 95.001 ± 0.001°
• β: 97.626 ± 0.001°
• γ: 115.09 ± 0.001°
• Cell volume: 10064.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2029
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No