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Information card for entry 1550801
Preview
| Coordinates | 1550801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H20 Cl8 N4 O4 Zr |
|---|---|
| Calculated formula | C32 H20 Cl8 N4 O4 Zr |
| SMILES | c12c(cc(cc1C=[N]1CC[N]3=Cc4cc(cc(c4O[Zr]45613([N](=Cc1c(c(cc(c1)Cl)Cl)O5)CC[N]4=Cc1cc(cc(c1O6)Cl)Cl)O2)Cl)Cl)Cl)Cl |
| Title of publication | Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies |
| Authors of publication | Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2019 |
| Journal volume | 10 |
| Journal issue | 25 |
| Pages of publication | 3444 |
| a | 20.4732 ± 0.0006 Å |
| b | 12.5483 ± 0.0004 Å |
| c | 13.5794 ± 0.0004 Å |
| α | 90° |
| β | 105.461 ± 0.001° |
| γ | 90° |
| Cell volume | 3362.36 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0356 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0558 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1550801.cif |
| 225342 | 2019-11-08 | cif/ Updating files of 1550799, 1550800, 1550801, 1550802, 1550803, 1550804 Original log message: Adding full bibliography for 1550799--1550804.cif. |
1550801.cif |
| 214371 | 2019-03-27 | cif/ Adding structures of 1550799, 1550800, 1550801, 1550802, 1550803, 1550804 via cif-deposit CGI script. |
1550801.cif |
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Users of the data should acknowledge the original authors of the
structural data.