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Information card for entry 4344096
Preview
| Coordinates | 4344096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H29 Cl3 N2 Ni P2 |
|---|---|
| Calculated formula | C29 H29 Cl3 N2 Ni P2 |
| SMILES | [Ni]1(Cl)(Cl)[P]2(Cl)N(c3c(C)cc(C)cc3C)CCN2c2ccccc2[P]1(c1ccccc1)c1ccccc1 |
| 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 | 9.84 ± 0.0005 Å |
| b | 10.02 ± 0.0006 Å |
| c | 16.7632 ± 0.0009 Å |
| α | 93.425 ± 0.003° |
| β | 95.166 ± 0.003° |
| γ | 114.41 ± 0.002° |
| Cell volume | 1490.35 ± 0.14 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for all reflections | 0.0792 |
| Weighted residual factors for significantly intense reflections | 0.0742 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4344096.cif |
| 176428 | 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. |
4344096.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. |
4344096.cif |
| 153680 | 2015-08-27 | cif/ Adding structures of 4344091, 4344092, 4344093, 4344094, 4344095, 4344096 via cif-deposit CGI script. |
4344096.cif |
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Users of the data should acknowledge the original authors of the
structural data.