Information card for entry 1515479

Structure parameters

• Formula: C130 H212 Dy6 Mn12 N8 O99
• Calculated formula: C128 H137 Dy6 Mn12 N8 O71
• SMILES: [Dy]1234567(Oc8c(cc(cc8C=O)C)C=[O]6)[O]68[Dy]9%10%11%12%13%14[O]%15[Mn]%16%17%18%19[O]%20%21[Mn]%22%23%24([O]1[Mn]1%256%20[O]6[Dy]%20%26%27%28%29([O]1[Dy]1%30%31%32%33%34[O]%23[Mn]%23%35(O%24)(Oc%24c(cc(cc%24C=O)C)C=[N]%35CC[O]%23[Dy]%23%24%35([O]%17%22)([O]%18%30)([O]%32[Mn]%17%18(Oc%22c(cc(cc%22C=O)C)C=[N]%18CC[O]%23%17)([O]%33C(=[O][Mn]%17%18%22([O]1[Mn]1%216([O]%10[Dy]6%10%21([O]%161)([O]%12[Mn]1%12(Oc%16c(cc(cc%16C=O)C)C=[N]%12CC[O]61)([O]=C(O%21)C)[O]%14C(=[O][Mn]168(Oc8c(cc(cc8C=O)C)C=[N]6CC[O]41)[O]%25C(=[O]%28)C)C)([O]1[Mn]4%15(Oc6c(cc(cc6C=O)C)C=[N]4CC1)([O]%19C(=[O]%24)C)[O]=C([O]%13[Mn]14([O]3%11)(Oc3c(cc(cc3C=O)C)C=[N]4CC[O]51)[O]=C(O7)C)C)Oc1c(cc(cc1C=O)C)C=[O]%10)O%17)Oc1c(cc(cc1C=O)C)C=[N]%22CC[O]%26%18)C)[O]=C(O%35)C)OC)[O]=C([O]%34[Mn]13([O]%20%31)(Oc4c(cc(cc4C=O)C)C=[N]3CC[O]%271)[O]=C(O%29)C)C)OC)[O]29
• 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: 19.7904 ± 0.0005 Å
• b: 21.4477 ± 0.0004 Å
• c: 26.7375 ± 0.0006 Å
• α: 95.344 ± 0.001°
• β: 97.864 ± 0.001°
• γ: 115.293 ± 0.001°
• Cell volume: 10017.8 ± 0.4 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: 0.0746
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No