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Information card for entry 7207472
Preview
| Coordinates | 7207472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H80 Cu4 N14 O24 |
|---|---|
| Calculated formula | C50 H80 Cu4 N14 O24 |
| SMILES | C1C(=O)N2[C@@H](C)C(=O)O[Cu]2([n]2ccc(cc2)c2cc[n](cc2)[Cu]23([NH2]CC(=O)N2[C@H](C(=O)O3)C)[OH2])([OH2])[NH2]1.n1ccc(cc1)c1ccncc1.O.O.C1C(=O)N2[C@H](C(=O)O[Cu]2([NH2]1)([n]1ccc(cc1)c1cc[n](cc1)[Cu]12([NH2]CC(=O)N1[C@H](C(=O)O2)C)[OH2])[OH2])C.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 | 11.202 ± 0.01 Å |
| b | 12.897 ± 0.011 Å |
| c | 28.51 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4119 ± 6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 23 |
| Hermann-Mauguin space group symbol | I 2 2 2 |
| Hall space group symbol | I 2 2 |
| Residual factor for all reflections | 0.091 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1647 |
| Weighted residual factors for all reflections included in the refinement | 0.1838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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. |
7207472.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7207472.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207472.cif |
| 37652 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7207472, 7207473 via cif-deposit CGI script. |
7207472.cif |
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