Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7225183
Preview
| Coordinates | 7225183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | di(acetato)-di(chrysazinato)-pyridine-tri(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N-dimethylformamide) solvate |
|---|---|
| Formula | C46 H44 Co3 N4 O15 |
| Calculated formula | C46 H44 Co3 N4 O15 |
| SMILES | [Co]12345[O]6[Co]7(Oc8c9C=6c6c([O]1[Co]1([O]3=C3c%10c([O]27)cccc%10C(=O)c2c3c(O1)ccc2)([O]=CN(C)C)([O]=C(O5)C)[O]=CN(C)C)cccc6C(=O)c9ccc8)([O]=CN(C)C)([O]=C(O4)C)[n]1ccccc1 |
| Title of publication | Transition metal coordination complexes of chrysazin |
| Authors of publication | Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 27 |
| Pages of publication | 5121 |
| a | 12.3354 ± 0.0005 Å |
| b | 12.8534 ± 0.0007 Å |
| c | 14.3146 ± 0.0005 Å |
| α | 91.265 ± 0.004° |
| β | 97.978 ± 0.003° |
| γ | 94.724 ± 0.004° |
| Cell volume | 2238.71 ± 0.17 Å3 |
| Cell temperature | 121 ± 1 K |
| Ambient diffraction temperature | 121 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185227 (current) | 2016-08-07 | cif/ Updating files of 7225182, 7225183, 7225184, 7225185, 7225186, 7225187, 7225188, 7225189, 7225190, 7225191, 7225192 Original log message: Adding full bibliography for 7225182--7225192.cif. |
7225183.cif |
| 182887 | 2016-05-12 | cif/ Adding structures of 7225182, 7225183, 7225184, 7225185, 7225186, 7225187, 7225188, 7225189, 7225190, 7225191, 7225192 via cif-deposit CGI script. |
7225183.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.