Information card for entry 7044815

Structure parameters

• Formula: C83 H106 Dy5 N61 Ni8 O44
• Calculated formula: C78 H76 Dy5 N56 Ni8 O24
• SMILES: [Dy]1234567[O]8[N]9=C(N)c%10cncc[n]%10[Dy]%10%11%12%139([O]9[Dy]%14%15%16%17%18(NC%19=[N]%20[O]1%16[Ni]1%16%21([N]%22=C(N[Ni]%23%24[O]%22[Dy]%22%25%26%27([O]([Dy]%28%29%30%31(NC%32=[N]([O]2%29[Ni]2%298([n]8ccncc8C8=[N]2[O]%31[Ni]2(N8)[n]8ccncc8C(=[N]2O%30)N)[n]2ccncc2C2=[N]%29[O]%10[Ni]8(N2)[n]2ccncc2C(=[N]98)N)[Ni]2(NC(=[N]%15[O]32)c2cncc[n]%142)[n]2ccncc%322)([n]2ccncc2C2=[N]%28[O]4[Ni]%20(N2)[n]2ccncc%192)[O]7%25)[N]%24=C(c2[n]%23ccnc2)N)([n]2ccncc2C(=[N]%22[O]5%21)N)([O]=C(C)O%26)OC(=[O]%27)C)c2cncc[n]%162)[n]2ccncc2C2=[N]1[O]%18[Ni]1(N2)[n]2ccncc2C(=[N]1O%17)N)[O]6%11)([O]=C(C)O%12)OC(=[O]%13)C
• 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: 34.983 ± 0.0012 Å
• b: 13.9322 ± 0.0005 Å
• c: 28.2518 ± 0.001 Å
• α: 90°
• β: 105.658 ± 0.001°
• γ: 90°
• Cell volume: 13258.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No