Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7710199
Preview
| Coordinates | 7710199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H56 N44 Ni4 |
|---|---|
| Calculated formula | C48 H56 N44 Ni4 |
| Title of publication | Self-assembly of Ni(ii) metallacycles (a square and a triangle) supported by tetrazine radical bridges |
| Authors of publication | Wang, Te; Yao, Binling; Guo, Zhilin; Chang, Xiaoyong; Deng, Yi-Fei; Zhang, Yuan-Zhu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 17.2932 ± 0.0004 Å |
| b | 17.2932 ± 0.0004 Å |
| c | 41.5378 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12422.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 142 |
| Hermann-Mauguin space group symbol | I 41/a c d :2 |
| Hall space group symbol | -I 4bd 2c |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275085 (current) | 2022-05-06 | cif/ Adding structures of 7710199, 7710200 via cif-deposit CGI script. |
7710199.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.