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Information card for entry 7024286
Preview
| Coordinates | 7024286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C69 H56 N7 Ni O3 P |
|---|---|
| Calculated formula | C69 H56 N7 Ni O3 P |
| SMILES | c12ccccc1N(C(=O)c1ccccc1)[Ni]13([N]2(c2ccccc2N1C(=O)c1ccccc1)c1ccccc1N3C(=O)c1ccccc1)[N]#CC.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.CC#N |
| Title of publication | Chelating tris(amidate) ligands: versatile scaffolds for nickel(II). |
| Authors of publication | Jones, Matthew B.; Newell, Brian S.; Hoffert, Wesley A.; Hardcastle, Kenneth I.; Shores, Matthew P.; MacBeth, Cora E. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 2 |
| Pages of publication | 401 - 410 |
| a | 10.9218 ± 0.0003 Å |
| b | 25.9666 ± 0.0009 Å |
| c | 20.1405 ± 0.0007 Å |
| α | 90° |
| β | 90.153 ± 0.017° |
| γ | 90° |
| Cell volume | 5711.9 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1053 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1795 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024286.cif |
| 179947 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/42. |
7024286.cif |
| 92349 | 2014-01-12 | cif/ Adding structures of 7024282, 7024283, 7024284, 7024285, 7024286 via cif-deposit CGI script. |
7024286.cif |
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Users of the data should acknowledge the original authors of the
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