Information card for entry 4328853

Structure parameters

• Formula: C150 H192 Cu6 Gd6 N30 O72
• Calculated formula: C150 H174 Cu6 Gd6 N30 O72
• SMILES: C12=[O][Gd]3456([O]=C7c8cccc9c8[O]3[Cu]3(N(=C9)=O)([N](=Cc8cccc(c8[O]63)C(O4)=[O][Gd]3468([O]=C9c%10cccc%11c%10[O]%10[Cu]%12(N(=C%11)=O)([N](=Cc%11cccc%13c%11[O]%12[Gd]%11%10(O9)([O]=C%13O[Gd]9%10%12%13([O]=C%14c%15cccc%16c%15[O]9[Cu]9(N(=C%16)=O)([N](=Cc%15cccc(c%15[O]%129)C(O%10)=[O][Gd]9%10(O2)([O]2c%12c1cccc%12C=N(=O)[Cu]12([N](=Cc2cccc(c2[O]%101)C(=[O]9)O%11)O)[O]=CN(C)C)([O]=CN(C)C)([OH2])[O]=C1c2cccc9c2[O]2[Cu]%10(N(=C9)=O)([N](=Cc9cccc%11c9[O]%10[Gd]2(O%14)(O1)([O]=C%11O5)([O]=C(O6)c1cccc2C=N(=O)[Cu]5([N](=Cc6cccc(C(O3)=[O]%13)c6[O]45)O)([O]8c12)[O]=CN(C)C)([O]=CN(C)C)[OH2])O)[O]=CN(C)C)O)[O]=CN(C)C)([O]=CN(C)C)[OH2])([O]=CN(C)C)([OH2])O7)O)[O]=CN(C)C)([O]=CN(C)C)[OH2])O)[O]=CN(C)C)([O]=CN(C)C)[OH2].N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Dodecanuclear [CuII6GdIII6] Nanoclusters as Magnetic Refrigerants
• Authors of publication: Alina S. Dinca; Alberto Ghirri; Augustin M. Madalan; Marco Affronte; Marius Andruh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3935 - 3937
• a: 27.497 ± 0.003 Å
• b: 27.497 ± 0.003 Å
• c: 21.844 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14303 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No