Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7701474
Preview
| Coordinates | 7701474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H44 Cl N3 O P2 Ru |
|---|---|
| Calculated formula | C53 H45 Cl N3 O P2 Ru |
| Title of publication | Cooperative Ruthenium Complex Catalyzed Multicomponent Synthesis of Pyrimidines |
| Authors of publication | Maji, Milan; Kundu, Sabuj |
| Journal of publication | Dalton Transactions |
| Year of publication | 2019 |
| a | 9.806 ± 0.005 Å |
| b | 22.261 ± 0.005 Å |
| c | 19.795 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 95.099 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 4304 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.1194 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223274 (current) | 2019-11-05 | cif/ Adding structures of 7701471, 7701472, 7701473, 7701474 via cif-deposit CGI script. |
7701474.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.