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Information card for entry 4083288
Preview
| Coordinates | 4083288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H84 Cl6 Ni3 P4 |
|---|---|
| Calculated formula | C56 H84 Cl6 Ni3 P4 |
| SMILES | [Ni]123(Cl)[P](c4c([C]1(C)=[C]3(c1c(cccc1)[P]2(C(C)C)C(C)C)C)cccc4)(C(C)C)C(C)C.[Ni]123(Cl)[P](c4c([C]3(C)=[C]1(c1c([P]2(C(C)C)C(C)C)cccc1)C)cccc4)(C(C)C)C(C)C.[Ni](Cl)(Cl)([Cl-])[Cl-] |
| 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 | 16.385 ± 0.003 Å |
| b | 16.756 ± 0.003 Å |
| c | 17.013 ± 0.003 Å |
| α | 96.367 ± 0.002° |
| β | 116.335 ± 0.002° |
| γ | 114.271 ± 0.002° |
| Cell volume | 3561.8 ± 1.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0515 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0685 |
| Weighted residual factors for all reflections included in the refinement | 0.0717 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178721 (current) | 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. |
4083288.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. |
4083288.cif |
| 113766 | 2014-05-14 | cif/ Adding structures of 4083285, 4083286, 4083287, 4083288, 4083289, 4083290, 4083291, 4083292, 4083293 via cif-deposit CGI script. |
4083288.cif |
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Users of the data should acknowledge the original authors of the
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