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Information card for entry 1547981
Preview
| Coordinates | 1547981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H20 Co N4 O6 P2 |
|---|---|
| Calculated formula | C16 H20 Co N4 O6 P2 |
| SMILES | [Co]1234(OP(=O)(O)CC[N]1=Cc1[n]2cccc1)OP(=O)(O)CC[N]4=Cc1[n]3cccc1 |
| Title of publication | Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices |
| Authors of publication | Victoria E. Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J. Dappe; Eric Riviere; Regis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihery; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah |
| Journal of publication | Nature Communications |
| Year of publication | 2016 |
| Journal volume | 7 |
| Pages of publication | 13646 |
| a | 26.378 ± 0.0013 Å |
| b | 9.059 ± 0.0004 Å |
| c | 16.5517 ± 0.0007 Å |
| α | 90° |
| β | 102.286 ± 0.001° |
| γ | 90° |
| Cell volume | 3864.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0951 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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 |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547981.cif |
| 203070 | 2017-11-10 | cif/ Adding structures of 1547981 via cif-deposit CGI script. |
1547981.cif |
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Users of the data should acknowledge the original authors of the
structural data.