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Information card for entry 7044817
Preview
| Coordinates | 7044817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229378 (current) | 2019-11-17 | cif/ Updating files of 7044813, 7044814, 7044815, 7044816, 7044817, 7044818 Original log message: Adding full bibliography for 7044813--7044818.cif. |
7044817.cif |
| 203404 | 2017-11-21 | cif/ Adding structures of 7044813, 7044814, 7044815, 7044816, 7044817, 7044818 via cif-deposit CGI script. |
7044817.cif |
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Users of the data should acknowledge the original authors of the
structural data.