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Information card for entry 7039473
Preview
| Coordinates | 7039473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H56 N6 O5 Zr2 |
|---|---|
| Calculated formula | C40 H56 N6 O5 Zr2 |
| SMILES | [Zr]123([n]4c(C=[N]1N([Zr]1([n]5c(C=[N]1N2c1ccccc1)cccc5)(OC(C)(C)C)(OC(C)(C)C)O3)c1ccccc1)cccc4)(OC(C)(C)C)OC(C)(C)C |
| 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 | 10.7341 ± 0.0012 Å |
| b | 17.247 ± 0.0018 Å |
| c | 25.237 ± 0.003 Å |
| α | 90° |
| β | 101.824 ± 0.002° |
| γ | 90° |
| Cell volume | 4573 ± 0.9 Å3 |
| Cell temperature | 238 ± 2 K |
| Ambient diffraction temperature | 238 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.302 |
| 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. |
7039473.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. |
7039473.cif |
| 183386 | 2016-06-11 | cif/ Adding structures of 7039469, 7039470, 7039471, 7039472, 7039473, 7039474, 7039475 via cif-deposit CGI script. |
7039473.cif |
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Users of the data should acknowledge the original authors of the
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