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Information card for entry 7019196
Preview
| Coordinates | 7019196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H76 Co I N4 P3 Ta |
|---|---|
| Calculated formula | C63 H76 Co I N4 P3 Ta |
| SMILES | [Ta]12(N(C(C)C)[P](c3ccccc3)(c3ccccc3)[Co](I)([P](N1C(C)C)(c1ccccc1)c1ccccc1)[P](N2C(C)C)(c1ccccc1)c1ccccc1)=NC(C)(C)C.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | Synthesis and investigation of the metal-metal interactions in early/late heterobimetallic complexes linking group 5 imido fragments to Co(i). |
| Authors of publication | Evers, Deirdra A.; Bluestein, Alia H.; Foxman, Bruce M.; Thomas, Christine M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 26 |
| Pages of publication | 8111 - 8115 |
| a | 13.14 ± 0.0006 Å |
| b | 18.2564 ± 0.0007 Å |
| c | 25.2782 ± 0.0011 Å |
| α | 90° |
| β | 95.27 ± 0.002° |
| γ | 90° |
| Cell volume | 6038.3 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 7 |
| 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 | 0.0316 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for all reflections | 0.0635 |
| Weighted residual factors for significantly intense reflections | 0.0558 |
| Weighted residual factors for all reflections included in the refinement | 0.0635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7019196.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019196.cif |
| 62801 | 2012-07-09 | cif/ Adding structures of 7019194, 7019195, 7019196, 7019197, 7019198 via cif-deposit CGI script. |
7019196.cif |
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Users of the data should acknowledge the original authors of the
structural data.