Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7231906
Preview
| Coordinates | 7231906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Cu N6 O14 |
|---|---|
| Calculated formula | C18 H20 Cu N6 O14 |
| Title of publication | Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance |
| Authors of publication | Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 3 |
| Pages of publication | 462 |
| a | 6.8028 ± 0.0012 Å |
| b | 8.47 ± 0.0015 Å |
| c | 11.01 ± 0.002 Å |
| α | 73.643 ± 0.005° |
| β | 87.812 ± 0.005° |
| γ | 75.045 ± 0.005° |
| Cell volume | 587.69 ± 0.18 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0684 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223742 (current) | 2019-11-07 | cif/ Updating files of 7231906, 7231907 Original log message: Adding full bibliography for 7231906--7231907.cif. |
7231906.cif |
| 212268 | 2018-12-01 | cif/ Adding structures of 7231906, 7231907 via cif-deposit CGI script. |
7231906.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.