Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7030824
Preview
| Coordinates | 7030824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H36 N8 O13 |
|---|---|
| Calculated formula | C30 H36 N8 O13 |
| SMILES | O=C(NCC[NH+](CCNC(=O)c1ncc(cc1)C(=O)OC)CCNC(=O)c1ncc(cc1)C(=O)OC)c1ncc(cc1)C(=O)OC.O.O=N(=O)[O-] |
| Title of publication | A highly selective colorimetric chemosensor for cobalt(ii) ions based on a tripodal amide ligand. |
| Authors of publication | Zhou, Jing-Ru; Liu, Da-Peng; He, Yue; Kong, Xiang-Jian; Zhang, Zhi-Ming; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 30 |
| Pages of publication | 11579 - 11586 |
| a | 7.176 ± 0.0008 Å |
| b | 14.1252 ± 0.0014 Å |
| c | 17.45 ± 0.0018 Å |
| α | 108.268 ± 0.009° |
| β | 91.425 ± 0.009° |
| γ | 103.228 ± 0.009° |
| Cell volume | 1626.1 ± 0.3 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 | 0.1261 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7030824.cif |
| 180014 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/08. |
7030824.cif |
| 121653 | 2014-08-08 | cif/ Updating files of 7030821, 7030822, 7030823, 7030824, 7030825 Original log message: Adding full bibliography for 7030821--7030825.cif. |
7030824.cif |
| 113066 | 2014-05-08 | cif/ Adding structures of 7030821, 7030822, 7030823, 7030824, 7030825 via cif-deposit CGI script. |
7030824.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.