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Information card for entry 7033840
Preview
| Coordinates | 7033840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 Cl2 N4 Ti |
|---|---|
| Calculated formula | C19 H22 Cl2 N4 Ti |
| SMILES | [Ti]1234(Cl)(Cl)(N=C(Nc5cccc6ccc(nc56)C)N(C)C)[c]5([cH]1[cH]2[cH]3[cH]45)C |
| Title of publication | Inserted products of lithium silylquinolylamide dimers [{8-(2-R-C9H5N)N(Me3Si)}Li·OEt2]2 (R = H or Me) with dimethylcyanamide and their reactive derivatives with metal halides. |
| Authors of publication | Wang, Peng; Li, Haifen; Xue, Xiaoyan; Chen, Xia |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 10 |
| Pages of publication | 4718 - 4725 |
| a | 12.856 ± 0.002 Å |
| b | 7.1985 ± 0.0011 Å |
| c | 21.868 ± 0.003 Å |
| α | 90° |
| β | 102.232 ± 0.002° |
| γ | 90° |
| Cell volume | 1977.8 ± 0.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1089 |
| Residual factor for significantly intense reflections | 0.0999 |
| Weighted residual factors for significantly intense reflections | 0.2328 |
| Weighted residual factors for all reflections included in the refinement | 0.2416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.275 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180044 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/38. |
7033840.cif |
| 133311 | 2015-03-06 | cif/ Updating files of 7033837, 7033838, 7033839, 7033840, 7033841 Original log message: Adding full bibliography for 7033837--7033841.cif. |
7033840.cif |
| 130203 | 2015-01-29 | cif/ Adding structures of 7033837, 7033838, 7033839, 7033840, 7033841 via cif-deposit CGI script. |
7033840.cif |
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Users of the data should acknowledge the original authors of the
structural data.