Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7207473
Preview
| Coordinates | 7207473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H44 Cu2 N6 O16 |
|---|---|
| Calculated formula | C20 H44 Cu2 N6 O16 |
| SMILES | C1(=O)[C@@H](N2C(=O)C[NH2][Cu]2([n]2ccc(cc2)c2cc[n](cc2)[Cu]23([NH2]CC(=O)N2[C@@H](C(=O)O3)C)[OH2])(O1)[OH2])C.O.O.O.O.O.O.O.O |
| Title of publication | The dipeptide-based chiral binuclear complex capturing 4,4′-bipyridine to form a 3D supramolecular framework with a 1D channel |
| Authors of publication | Lou, Benyong; Wei, Yongqin; Lin, Qi |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 6 |
| Pages of publication | 2040 |
| a | 7.261 Å |
| b | 10.749 Å |
| c | 11.075 Å |
| α | 68.967 ± 0.007° |
| β | 77.087 ± 0.008° |
| γ | 76.293 ± 0.008° |
| Cell volume | 774.63 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0406 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207473.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7207473.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207473.cif |
| 37652 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7207472, 7207473 via cif-deposit CGI script. |
7207473.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.