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Information card for entry 7106694
Preview
Coordinates | 7106694.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C114 H138 Co4 Dy10 N22 O62 S10 |
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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)([O]=C(C)O6)(OC(C)=[O][Dy]6%11%12%15%16%17(OC(C)=[O][Dy]([O]24)([O]3C)(OC(C)=[O]7)([O]%11C(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]4C(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]%16C(=[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 Å3 |
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 |
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The link is: https://www.crystallography.net/7106694.html
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