Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7058899
Preview
| Coordinates | 7058899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H23 Cl2 Cu N5 O8 |
|---|---|
| Calculated formula | C26 H23 Cl2 Cu N5 O8 |
| Title of publication | Electrocatalytic Reduction of Protons to Hydrogen by a Copper Complex of the Pentadentate Ligand Dmphen-DPA in Nonaqueous Electrolyte |
| Authors of publication | Gao, Yingchun; Zhao, Yingguo; Song, Xiao-Wei; Huang, Rong-Yi; Meng, Yan; Wang, Junwei; Wang, Wenjing; Chen, Chengneng |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 46 |
| Pages of publication | 18134 - 18140 |
| a | 12.7945 ± 0.0019 Å |
| b | 14.576 ± 0.002 Å |
| c | 15.784 ± 0.002 Å |
| α | 90° |
| β | 112.699 ± 0.003° |
| γ | 90° |
| Cell volume | 2715.6 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058899.cif |
| 301442 | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7058899.cif |
| 219448 | 2019-10-22 | cif/ Adding structures of 7058899, 7058900 via cif-deposit CGI script. |
7058899.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.