Information card for entry 7044814

Structure parameters

• Formula: C79 H114 Dy8 N54 Ni6 O51
• Calculated formula: C72 H88 Dy8 N52 Ni6 O38
• SMILES: C1(=[N]2O[Dy]34567([O]8[N]9=C(c%10[n](ccnc%10)[Ni]%10%11%129[n]9c(C(=[N]%10O[Dy]%10%13%14%15%16([O]%17[Dy]%18%19%20%21%22%23O[N]%24=C(c%25cncc[n]%25[Ni]%25%26%24([n]%24c(c[nH+]cc%24)C(=[N]%17%25)N%10)[n]%10c(cncc%10)C(N)=[N]%26[O]%18[Dy]%10%17%18%24%25([O]%26%20CC%20(C[O]%15%19[Dy]%15%19%27([O]4%11)([O]5[Dy]45%11%28%29%30[O]%15(C%20)[Dy]%15%20%31%32%26([O]4[Dy]4%26%33(O[N]%34=C(c%35[n](ccnc%35)[Ni]%35%34([n]%34c(cncc%34)C%34=[N]%35[O]%17[Ni]%17(N%34)[n]%34c(cncc%34)C(=[N]%17O%10)N)([O]%24%15)[O]%20%26)N)([O]5[N]5=C(c%10c[nH+]cc[n]%10[Ni]%10%155([n]5c(cncc5)C(=[N]%10O%11)N)[n]5c(cncc5)C(N)=[N]%15[O]6%28)N4)(ON(=O)=[O]%33)[O]%29%31CC(C[O]7%27%30)(C[O]%22%19%32)CC)[O]%21%25)([O]%12%13)[O]%16%23)CC)ON(=[O]%18)=O)N)ON(=O)=[O]%14)N)cncc9)N[Ni]28[n]2c1cncc2)[O]=N(=O)O3)N
• Title of publication: High-nuclear heterometallic oxime clusters assembled from triangular subunits: solvothermal syntheses, crystal structures and magnetic properties.
• Authors of publication: Dong, Hui-Ming; Zhang, Zhi-Chao; Li, Hai-Yan; Liu, Zhong-Yi; Yang, En-Cui; Zhao, Xiao-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 169 - 179
• a: 13.4776 ± 0.0006 Å
• b: 16.9719 ± 0.0006 Å
• c: 18.0802 ± 0.0008 Å
• α: 109.068 ± 0.004°
• β: 97.492 ± 0.004°
• γ: 98.66 ± 0.003°
• Cell volume: 3792.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1718
• Residual factor for significantly intense reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.3423
• Weighted residual factors for all reflections included in the refinement: 0.3825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No