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Information card for entry 4346736
Preview
| Coordinates | 4346736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | naphcl |
|---|---|
| Formula | C50 H64 Cl2 N4 Na2 O4 |
| Calculated formula | C50 H64 Cl2 N4 Na2 O4 |
| SMILES | [Na]123([O](c4ccc(Cl)cc4C=[N]1c1ccccc1C[N]2(C)C1CCCCC1)[Na]12([O]3c3ccc(Cl)cc3C=[N]1c1ccccc1C[N]2(C)C1CCCCC1)[O]1CCCC1)[O]1CCCC1 |
| Title of publication | Synthesis of Sodium Complexes Supported with NNO-Tridentate Schiff Base Ligands and Their Applications in the Ring-Opening Polymerization of L-Lactide. |
| Authors of publication | Ou, Hsiu-Wei; Lo, Kai-Hsuan; Du, Wei-Ting; Lu, Wei-Yi; Chuang, Wan-Jung; Huang, Bor-Hunn; Chen, Hsuan-Ying; Lin, Chu-Chieh |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | 1423 - 1432 |
| a | 9.9724 ± 0.0006 Å |
| b | 10.4059 ± 0.0009 Å |
| c | 12.3474 ± 0.0009 Å |
| α | 74.716 ± 0.007° |
| β | 72.856 ± 0.006° |
| γ | 82.905 ± 0.006° |
| Cell volume | 1179.61 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0747 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4346736.cif |
| 289785 | 2024-02-12 | Fixing a few Z values and formulae |
4346736.cif |
| 231943 | 2019-11-23 | cif/ Adding structures of 4346735, 4346736 via cif-deposit CGI script. |
4346736.cif |
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Users of the data should acknowledge the original authors of the
structural data.