Information card for entry 7106694

Structure parameters

• Formula: C114 H138 Co4 Dy10 N22 O62 S10
• Calculated formula: C114 H122 Co4 Dy10 N22 O62 S10
• SMILES: c12c3cccc1C=[N]1[Dy]456789[N]%10=Cc%11c%12[O]5[Dy]5%13%14([O](c%12ccc%11)C)(OC(C)=[O]6)([O]=C(C)O[Dy]6%11%12%15%16%17([O]=C(C)O[Dy]([O]24)([O]3C)([O]=C(C)O7)([O]%11=C(C)[O]%17[Dy]2347([N]#CC)([O]%11c%17c(C=[N]%18[N]%19=Cc%20c%21c(ccc%20)[O](C)[Dy]%20%22%23%24%25([O]%21[Dy]%21%26%27%28%19([N]([N]%19=Cc%29cccc([O]4C)c%29[O]3[Co]%11%18%19(N=C=S)[O]%27C(C)=[O]7)=Cc3c4[O]%21[Dy]7%11([O](c4ccc3)C)([O]=C(C)O%26)(OC(C)=[O][Dy]34%18%19(OC(C)=[O]%22)([O](=C(C)[O]73)[Dy]37%21%22([N]#CC)([O]%26c%27c(C=[N]1[Co]1%26([N]%10=Cc%10cccc([O]%21C)c%10[O]71)(N=C=S)[O]9C(C)=[O]%22)cccc%27[O]3C)([O]4=C(C)[O]%23%18)[O]=C(C)O%19)([O]%25%11)[OH2])([O]%24%28)[OH2])[O]=C(C)O%20)[OH2])cccc%17[O]2C)([O]%16=C([O]56)C)[O]=C(O%12)C)([O]8%13)([O]%14%15)[OH2])[OH2])[OH2].N(=C=S)[Co](N=C=S)(N=C=S)(N=C=S)[OH2].C(#N)C.O.N(=C=S)[Co](N=C=S)(N=C=S)(N=C=S)[OH2].C(#N)C.O
• Title of publication: A dodecanuclear heterometallic dysprosium‒cobalt wheel exhibiting single-molecule magnet behaviour
• Authors of publication: Zou, Li-Fei; Zhao, Lang; Guo, Yun-Nan; Yu, Gui-Miao; Guo, Yang; Tang, Jinkui; Li, Yun-Hui
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 30
• Pages of publication: 8659 - 8661
• a: 17.1089 ± 0.0017 Å
• b: 17.1317 ± 0.0009 Å
• c: 18.7454 ± 0.0009 Å
• α: 115.646 ± 0.001°
• β: 105.043 ± 0.001°
• γ: 92.992 ± 0.001°
• Cell volume: 4697.2 ± 0.6 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No