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Information card for entry 7039469
Preview
| Coordinates | 7039469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H20 N6 Zn |
|---|---|
| Calculated formula | C24 H20 N6 Zn |
| SMILES | C1=NN([Zn]2([n]3c1cccc3)[n]1c(C=NN2c2ccccc2)cccc1)c1ccccc1 |
| Title of publication | Coordination reactions of 2-pyridinecarboxaldehyde-phenylhydrazonatolithium with selected transition metal (Zn, Sn, Fe, Co, Ni and Zr) chlorides and its coupling reaction with dichloromethane. |
| Authors of publication | Duan, Xin-E; Tong, Hong-Bo; Wei, Xue-Hong; Shi, He-Ping; Bai, Sheng-Di; Bai, Tao; Zhang, Jing; Zhang, Yong-Bin; Liu, Dian-Sheng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 27 |
| Pages of publication | 11061 - 11070 |
| a | 18.7 ± 0.017 Å |
| b | 9.744 ± 0.009 Å |
| c | 11.97 ± 0.011 Å |
| α | 90° |
| β | 107.312 ± 0.012° |
| γ | 90° |
| Cell volume | 2082 ± 3 Å3 |
| Cell temperature | 238 ± 2 K |
| Ambient diffraction temperature | 238 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0687 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1711 |
| Weighted residual factors for all reflections included in the refinement | 0.206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039469.cif |
| 185396 | 2016-08-07 | cif/ Updating files of 7039469, 7039470, 7039471, 7039472, 7039473, 7039474, 7039475 Original log message: Adding full bibliography for 7039469--7039475.cif. |
7039469.cif |
| 183386 | 2016-06-11 | cif/ Adding structures of 7039469, 7039470, 7039471, 7039472, 7039473, 7039474, 7039475 via cif-deposit CGI script. |
7039469.cif |
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Users of the data should acknowledge the original authors of the
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