Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7063895
Preview
| Coordinates | 7063895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H12 Cl2 N4 Zn |
|---|---|
| Calculated formula | C17 H12 Cl2 N4 Zn |
| Title of publication | Zn–N3 complexes for the cycloaddition of epoxides with CO2 at atmospheric pressure |
| Authors of publication | Li, Mengmeng; Du, Zhi-Hong; Bo, Chunbo; Li, Min; Chen, Fei; Liu, Ning |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 11.2951 ± 0.0012 Å |
| b | 8.832 ± 0.0008 Å |
| c | 16.7065 ± 0.0016 Å |
| α | 90° |
| β | 95.713 ± 0.003° |
| γ | 90° |
| Cell volume | 1658.3 ± 0.3 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| 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 | 0.2325 |
| Residual factor for significantly intense reflections | 0.14 |
| Weighted residual factors for significantly intense reflections | 0.2619 |
| Weighted residual factors for all reflections included in the refinement | 0.3072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301265 (current) | 2025-07-16 | cif/ Adding structures of 7063894, 7063895 via cif-deposit CGI script. |
7063895.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.