Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7714501
Preview
| Coordinates | 7714501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H66 N6 Ni2 O7 |
|---|---|
| Calculated formula | C76 H66 N6 Ni2 O7 |
| SMILES | [Ni]123([O]4[Ni]567([O]1c1c(C[N]3(CC[N]2(Cc2c4c(cc(c2)C)c2[n]6c(c3ccccc3)c(n2c2ccccc2)c2ccccc2)C)C)cc(cc1c1[n]7c(c(n1c1ccccc1)c1ccccc1)c1ccccc1)C)[O]=C(O5)c1ccccc1)(OC(=O)c1ccccc1)[OH2] |
| Title of publication | Bimetallic nickel complexes containing imidazole-based phenolate ligands as efficient catalysts for the copolymerization of carbon dioxide with epoxides. |
| Authors of publication | Hsu, Han-Fang; Liu, Guan-Lin; Su, Yu-Chia; Ko, Bao-Tsan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 53 |
| Journal issue | 1 |
| Pages of publication | 299 - 314 |
| a | 14.4235 ± 0.0018 Å |
| b | 16.341 ± 0.002 Å |
| c | 17.149 ± 0.002 Å |
| α | 78.062 ± 0.004° |
| β | 78.226 ± 0.004° |
| γ | 73.085 ± 0.005° |
| Cell volume | 3738.5 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71076 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289463 (current) | 2024-02-04 | cif/ Updating files of 7714500, 7714501, 7714502, 7714503, 7714504, 7714505, 7714506, 7714507, 7714508, 7714509 Original log message: Adding full bibliography for 7714500--7714509.cif. |
7714501.cif |
| 287688 | 2023-11-19 | cif/ Adding structures of 7714500, 7714501, 7714502, 7714503, 7714504, 7714505, 7714506, 7714507, 7714508, 7714509 via cif-deposit CGI script. |
7714501.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.