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Information card for entry 4083289
Preview
| Coordinates | 4083289.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H38 Ni P2 |
|---|---|
| Calculated formula | C26 H38 Ni P2 |
| SMILES | [Ni]123[CH](=[CH]2c2c([P]1(C(C)C)C(C)C)cccc2)c1c([P]3(C(C)C)C(C)C)cccc1 |
| Title of publication | Group 10 Metal Complexes Supported by Pincer Ligands with an Olefinic Backbone |
| Authors of publication | Barrett, Brittany J.; Iluc, Vlad M. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 10 |
| Pages of publication | 2565 |
| a | 15.245 ± 0.002 Å |
| b | 10.7277 ± 0.0016 Å |
| c | 31.655 ± 0.005 Å |
| α | 90° |
| β | 101.825 ± 0.003° |
| γ | 90° |
| Cell volume | 5067.1 ± 1.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1361 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.895 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4083289.cif |
| 178721 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32. |
4083289.cif |
| 115877 | 2014-06-05 | cif/ Updating files of 4083285, 4083286, 4083287, 4083288, 4083289, 4083290, 4083291, 4083292, 4083293 Original log message: Adding full bibliography for 4083285--4083293.cif. |
4083289.cif |
| 113766 | 2014-05-14 | cif/ Adding structures of 4083285, 4083286, 4083287, 4083288, 4083289, 4083290, 4083291, 4083292, 4083293 via cif-deposit CGI script. |
4083289.cif |
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Users of the data should acknowledge the original authors of the
structural data.