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Information card for entry 4344092
Preview
| Coordinates | 4344092.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H62 Cl6 N4 Ni2 P4 |
|---|---|
| Calculated formula | C60 H62 Cl6 N4 Ni2 P4 |
| SMILES | [Ni]1234[Ni](Cl)(Cl)([P]51N(c1c(C)cc(C)cc1C)CCN5c1ccccc1[P]2(c1ccccc1)c1ccccc1)[P]13N(c2c(C)cc(C)cc2C)CCN1c1ccccc1[P]4(c1ccccc1)c1ccccc1.ClCCl.ClCCl |
| Title of publication | Use of a Bidentate Ligand Featuring an N-Heterocyclic Phosphenium Cation (NHP(+)) to Systematically Explore the Bonding of NHP(+) Ligands with Nickel. |
| Authors of publication | Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 17 |
| Pages of publication | 8717 - 8726 |
| a | 11.9004 ± 0.0007 Å |
| b | 13.5853 ± 0.0007 Å |
| c | 35.912 ± 0.002 Å |
| α | 90° |
| β | 96.805 ± 0.003° |
| γ | 90° |
| Cell volume | 5765 ± 0.6 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0728 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for all reflections | 0.094 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9656 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4344092.cif |
| 160521 | 2015-10-06 | cif/ Updating files of 4344091, 4344092, 4344093, 4344094, 4344095, 4344096 Original log message: Adding full bibliography for 4344091--4344096.cif. |
4344092.cif |
| 153680 | 2015-08-27 | cif/ Adding structures of 4344091, 4344092, 4344093, 4344094, 4344095, 4344096 via cif-deposit CGI script. |
4344092.cif |
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Users of the data should acknowledge the original authors of the
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