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Information card for entry 7714679
Preview
| Coordinates | 7714679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H76 B2 Fe2 N6 O4 |
|---|---|
| Calculated formula | C90 H76 B2 Fe2 N6 O4 |
| 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 | 11.1974 ± 0.0012 Å |
| b | 12.573 ± 0.0012 Å |
| c | 14.8997 ± 0.0012 Å |
| α | 103.67 ± 0.003° |
| β | 110.022 ± 0.003° |
| γ | 104.957 ± 0.003° |
| Cell volume | 1778.1 ± 0.3 Å3 |
| Cell temperature | 145 ± 2 K |
| Ambient diffraction temperature | 145.01 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1019 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1421 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7714679.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. |
7714679.cif |
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Users of the data should acknowledge the original authors of the
structural data.