Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566121
Preview
| Coordinates | 1566121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1581 M6 Ligand L1, H4Me2hybeb |
|---|---|
| Chemical name | 1,2-bis(2-hydroxybenzamido)-4,5-dimethylbenzene, (H4Me2hybeb) |
| Formula | C22 H20 N2 O4 |
| Calculated formula | C22 H20 N2 O4 |
| SMILES | Oc1ccccc1C(=O)Nc1cc(C)c(C)cc1NC(=O)c1ccccc1O |
| Title of publication | Electrochemical synthesis and crystal structure studies of defective dicubane tetranuclear hydroxo and carboxamide ligand bridged cobalt(II)–cobalt(III) complexes with carboxamides produced from unprotected hydroxyaromatic carboxylic acids |
| Authors of publication | Meghdadi, Soraia; Mirkhani, Valiollah; Mereiter, Kurt |
| Journal of publication | Comptes Rendus Chimie |
| Year of publication | 2015 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 654 - 661 |
| a | 9.6854 ± 0.0002 Å |
| b | 9.9691 ± 0.0002 Å |
| c | 10.4536 ± 0.0002 Å |
| α | 87.793 ± 0.002° |
| β | 63.452 ± 0.002° |
| γ | 85.496 ± 0.002° |
| Cell volume | 900.12 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272222 (current) | 2022-01-25 | cif/ Adding structures of 1566121, 1566122, 1566123 via cif-deposit CGI script. |
1566121.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.