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Information card for entry 7044815
Preview
| Coordinates | 7044815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 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 | 0.0359 |
| 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 |
| 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. |
7044815.cif |
| 203404 | 2017-11-21 | cif/ Adding structures of 7044813, 7044814, 7044815, 7044816, 7044817, 7044818 via cif-deposit CGI script. |
7044815.cif |
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Users of the data should acknowledge the original authors of the
structural data.