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Information card for entry 4348376
Preview
| Coordinates | 4348376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H38 N2 Ni O6 |
|---|---|
| Calculated formula | C32 H38 N2 Ni O6 |
| SMILES | c12c(cccc2C[N]2([Ni]3(O1)([N](Cc1c(c(ccc1)c1c(O)cccc1)O3)(CC2)C)([OH]C)[OH]C)C)c1c(O)cccc1 |
| 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 | 19.941 ± 0.001 Å |
| b | 13.06 ± 0.0005 Å |
| c | 12.834 ± 0.007 Å |
| α | 90° |
| β | 115.199 ± 0.007° |
| γ | 90° |
| Cell volume | 3024.3 ± 1.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4348376.cif |
| 232894 | 2019-11-23 | cif/ Adding structures of 4348375, 4348376, 4348377, 4348378, 4348379 via cif-deposit CGI script. |
4348376.cif |
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Users of the data should acknowledge the original authors of the
structural data.