Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7714678
Preview
| Coordinates | 7714678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H40 B2 F8 N6 O4 Zn2 |
|---|---|
| Calculated formula | C42 H40 B2 F8 N6 O4 Zn2 |
| Title of publication | Reduction of nitrite to nitric oxide and generation of reactive chalcogen species by mononuclear Fe(II) and Zn(II) complexes of thiolate and selenolate. |
| Authors of publication | Atta, Sayan; Mandal, Amit; Saha, Rahul; Majumdar, Amit |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 3 |
| Pages of publication | 949 - 965 |
| a | 9.8506 ± 0.0014 Å |
| b | 10.1305 ± 0.0015 Å |
| c | 10.4984 ± 0.0013 Å |
| α | 105.549 ± 0.012° |
| β | 90.387 ± 0.011° |
| γ | 91.566 ± 0.012° |
| Cell volume | 1008.8 ± 0.2 Å3 |
| Cell temperature | 146.7 ± 0.6 K |
| Ambient diffraction temperature | 146.7 ± 0.6 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1155 |
| Residual factor for significantly intense reflections | 0.0757 |
| Weighted residual factors for significantly intense reflections | 0.1615 |
| Weighted residual factors for all reflections included in the refinement | 0.1864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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 |
|---|---|---|---|
| 289545 (current) | 2024-02-04 | cif/ Updating files of 7714674, 7714675, 7714676, 7714677, 7714678, 7714679, 7714680, 7714681, 7714682, 7714683, 7714684, 7714685, 7714686 Original log message: Adding full bibliography for 7714674--7714686.cif. |
7714678.cif |
| 288235 | 2023-12-12 | cif/ Adding structures of 7714674, 7714675, 7714676, 7714677, 7714678, 7714679, 7714680, 7714681, 7714682, 7714683, 7714684, 7714685, 7714686 via cif-deposit CGI script. |
7714678.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.