Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4515161
Preview
| Coordinates | 4515161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4.61 H3.66 F0.41 N0.54 O0.68 Ru0.14 S0.14 |
|---|---|
| Calculated formula | C4.61017 H3.66102 F0.40678 N0.542373 O0.677966 Ru0.135593 S0.135593 |
| Title of publication | Coordination-Driven Self-Assembly of Triazole-Based Apoptosis-Inducible Metallomacrocycles. |
| Authors of publication | Singh, Jatinder; Park, Dae Won; Kim, Dong Hwan; Singh, Nem; Kang, Se Chan; Chi, Ki-Whan |
| Journal of publication | ACS omega |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 10810 - 10817 |
| a | 15.89 ± 0.003 Å |
| b | 15.537 ± 0.003 Å |
| c | 28.947 ± 0.006 Å |
| α | 90° |
| β | 93.24 ± 0.03° |
| γ | 90° |
| Cell volume | 7135 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1151 |
| Residual factor for significantly intense reflections | 0.1057 |
| Weighted residual factors for significantly intense reflections | 0.3053 |
| Weighted residual factors for all reflections included in the refinement | 0.3172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.404 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220263 (current) | 2019-10-28 | cif/ Adding structures of 4515161 via cif-deposit CGI script. |
4515161.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.