Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7719200
Preview
| Coordinates | 7719200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H74 N10 Ni4 O22 |
|---|---|
| Calculated formula | C68 H72 N10 Ni4 O22 |
| Title of publication | Coordination Clusters with [Ni4O4] Core as Catalysts for α‑Alkylation of Ketones with Benzyl Alcohols |
| Authors of publication | Nayek, Hari Pada; Kajal, Kajal; Kumar, Manish |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 16.2507 ± 0.0003 Å |
| b | 20.1882 ± 0.0006 Å |
| c | 24.4606 ± 0.0005 Å |
| α | 90° |
| β | 95.152 ± 0.002° |
| γ | 90° |
| Cell volume | 7992.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1043 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.2364 |
| Weighted residual factors for all reflections included in the refinement | 0.2615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301435 (current) | 2025-08-02 | cif/ Adding structures of 7719198, 7719199, 7719200 via cif-deposit CGI script. |
7719200.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.