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Information card for entry 4344595
Preview
| Coordinates | 4344595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36.5 H49 Cl7 F12 N4 Ni Sb2 |
|---|---|
| Calculated formula | C36.5 H49 Cl7 F12 N4 Ni Sb2 |
| Title of publication | Geometric and Electronic Structures of Nickel(II) Complexes of Redox Noninnocent Tetradentate Phenylenediamine Ligands. |
| Authors of publication | Ciccione, Jérémie; Leconte, Nicolas; Luneau, Dominique; Philouze, Christian; Thomas, Fabrice |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 649 - 665 |
| a | 10.321 ± 0.002 Å |
| b | 14.752 ± 0.003 Å |
| c | 35.356 ± 0.007 Å |
| α | 90° |
| β | 94.83 ± 0.03° |
| γ | 90° |
| Cell volume | 5364 ± 1.9 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 7 |
| 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 | 0.0673 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1526 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| Diffraction radiation probe | x-ray |
| 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. |
4344595.cif |
| 175517 | 2016-02-04 | cif/ Adding structures of 4344587, 4344588, 4344589, 4344590, 4344591, 4344592, 4344593, 4344594, 4344595, 4344596 via cif-deposit CGI script. |
4344595.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.