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Information card for entry 4348378
Preview
| Coordinates | 4348378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H37 Cu N3 O5 |
|---|---|
| Calculated formula | C33 H37 Cu N3 O5 |
| Title of publication | A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures. |
| Authors of publication | Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 15 |
| Pages of publication | 7676 - 7687 |
| a | 12.899 ± 0.0005 Å |
| b | 9.9207 ± 0.0004 Å |
| c | 23.3588 ± 0.0009 Å |
| α | 90° |
| β | 101.279 ± 0.004° |
| γ | 90° |
| Cell volume | 2931.4 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4348378.cif |
| 232894 | 2019-11-23 | cif/ Adding structures of 4348375, 4348376, 4348377, 4348378, 4348379 via cif-deposit CGI script. |
4348378.cif |
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Users of the data should acknowledge the original authors of the
structural data.