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Information card for entry 2241838
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| Coordinates | 2241838.cif |
|---|---|
| Structure factors | 2241838.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Tris{2-[(5-chloro-2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]ethyl}amine)ytterbium(III) |
|---|---|
| Formula | C27 H24 Cl3 N4 O3 Yb |
| Calculated formula | C27 H24 Cl3 N4 O3 Yb |
| SMILES | [Yb]123456Oc7c(C=[N]4CC[N]3(CC[N]5=Cc3cc(Cl)ccc3O1)CC[N]6=Cc1cc(Cl)ccc1O2)cc(Cl)cc7 |
| Title of publication | (Tris{2-[(5-chloro-2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]ethyl}amine)ytterbium(III): crystal structure and Hirshfeld surface analysis |
| Authors of publication | Lee, See Mun; Lo, Kong Mun; Tan, Sang Loon; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 10 |
| Pages of publication | 1390 - 1395 |
| a | 10.0452 ± 0.0002 Å |
| b | 13.151 ± 0.0002 Å |
| c | 21.0926 ± 0.0004 Å |
| α | 90° |
| β | 101.221 ± 0.001° |
| γ | 90° |
| Cell volume | 2733.16 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.0491 |
| Weighted residual factors for all reflections included in the refinement | 0.0545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186180 (current) | 2016-09-06 | cif/ hkl/ Adding structures of 2241838 via cif-deposit CGI script. |
2241838.cif 2241838.hkl |
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Users of the data should acknowledge the original authors of the
structural data.