Information card for entry 7044817

Structure parameters

• Formula: C92 H112 Gd5 N63 Ni8 O39
• Calculated formula: C78 H76 Gd5 N56 Ni8 O24
• SMILES: c1cncc2C3=[N]4[O]5[Gd]6789%10%11[O]%12[Gd]%13%14%15%16%17([O]%18[Gd]%19%20%214%12([n]12)[O]1[N]2=C(c4[n](ccnc4)[Ni]4%12%222[n]2ccncc2C2=[N]%22[O]%22[Gd]%23%24%25%26([O]([Gd]%27%28%29%30([n]%31ccncc%31C%31=[N]%27[O]6[Ni]6([N]([O]8%214)=C(c4cncc[n]64)N%20)N%31)(NC4c6cncc[n]6[Ni]5([N]=4[O]7%28[Ni]45([n]6ccncc6C6=[N]4[O]%29[Ni]4([N](O%30)=C(c7cncc[n]47)N)N6)([O]9[N]%14=C(c4cncc[n]%134)N)[n]4ccncc4C4=[N]5[O]%17[Ni]5(N4)[n]4ccncc4C(=[N]%185)N)N3)[O]%11%23)[N]3=C(c4cncc[n]4[Ni]%223N2)N)([O]=C(C)O%25)([n]2ccncc2C(=[N]%24[O]%10%12)N)OC(=[O]%26)C)N[Ni]21[N](O%19)=C(c1cncc[n]21)N)([O]=C(O%15)C)OC(=[O]%16)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: 34.454 ± 0.005 Å
• b: 13.9258 ± 0.0019 Å
• c: 28.157 ± 0.004 Å
• α: 90°
• β: 105.218 ± 0.002°
• γ: 90°
• Cell volume: 13036 ± 3 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: 0.0656
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No