Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7714605
Preview
| Coordinates | 7714605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H22 Cl2 Cu N4 |
|---|---|
| Calculated formula | C29 H22 Cl2 Cu N4 |
| Title of publication | Formate dehydrogenase activity by a Cu(II)-based molecular catalyst and deciphering the mechanism using DFT studies. |
| Authors of publication | Mishra, Aman; Srivastava, Diship; Raj, Dev; Patra, Niladri; Padhi, Sumanta Kumar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 3 |
| Pages of publication | 1209 - 1220 |
| a | 19.874 ± 0.003 Å |
| b | 18.63 ± 0.002 Å |
| c | 15.83 ± 0.002 Å |
| α | 90° |
| β | 115.041 ± 0.004° |
| γ | 90° |
| Cell volume | 5310.2 ± 1.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0407 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0661 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289537 (current) | 2024-02-04 | cif/ Updating files of 7714605 Original log message: Adding full bibliography for 7714605.cif. |
7714605.cif |
| 288058 | 2023-12-06 | cif/ Adding structures of 7714605 via cif-deposit CGI script. |
7714605.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.