Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1550800
Preview
| Coordinates | 1550800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H32 Cl8 Hf N4 O4 |
|---|---|
| Calculated formula | C40 H32 Cl8 Hf N4 O4 |
| SMILES | [Hf]123456(Oc7c(Cl)cc(Cl)cc7C=[N]3[C@@H]3[C@@H]([N]4=Cc4c(O1)c(Cl)cc(Cl)c4)CCCC3)Oc1c(cc(Cl)cc1Cl)C=[N]5[C@H]1[C@H]([N]6=Cc3c(O2)c(Cl)cc(Cl)c3)CCCC1 |
| 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 | 11.3471 ± 0.0002 Å |
| b | 11.3471 ± 0.0002 Å |
| c | 16.1552 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2080.09 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.65 |
| 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. |
1550800.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. |
1550800.cif |
| 214371 | 2019-03-27 | cif/ Adding structures of 1550799, 1550800, 1550801, 1550802, 1550803, 1550804 via cif-deposit CGI script. |
1550800.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.