Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2242427
Preview
| Coordinates | 2242427.cif |
|---|---|
| Structure factors | 2242427.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido(5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane)(phenylethynyl)cobalt(III) chloride‒acetonitrile‒methanol (1/1/1) |
|---|---|
| Formula | C23 H40 Cl2 Co N5 O |
| Calculated formula | C23 H40 Cl2 Co N5 O |
| Title of publication | Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide |
| Authors of publication | Oxley, Benjamin M.; Mash, Brandon; Zeller, Matthias; Banziger, Susannah; Ren, Tong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 4 |
| Pages of publication | 522 - 529 |
| a | 9.6903 ± 0.0013 Å |
| b | 15.668 ± 0.002 Å |
| c | 17.985 ± 0.002 Å |
| α | 86.43 ± 0.005° |
| β | 74.848 ± 0.004° |
| γ | 88.97 ± 0.005° |
| Cell volume | 2630.6 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.1142 |
| Residual factor for significantly intense reflections | 0.0867 |
| Weighted residual factors for significantly intense reflections | 0.2119 |
| Weighted residual factors for all reflections included in the refinement | 0.241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206944 (current) | 2018-03-14 | cif/ hkl/ Adding structures of 2242427, 2242428 via cif-deposit CGI script. |
2242427.cif 2242427.hkl |
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.