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Information card for entry 7036819
Preview
| Coordinates | 7036819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H32 Cl N2 Ni P3 |
|---|---|
| Calculated formula | C38 H32 Cl N2 Ni P3 |
| SMILES | [Ni]12(Cl)[P](c3ccccc3)(c3ccccc3)c3ccccc3N3P1N(CC3)c1ccccc1[P]2(c1ccccc1)c1ccccc1 |
| Title of publication | N-heterocyclic phosphenium and phosphido nickel complexes supported by a pincer ligand framework. |
| Authors of publication | Evers-McGregor, Deirdra A; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 1918 - 1929 |
| a | 9.9478 ± 0.0003 Å |
| b | 12.3725 ± 0.0004 Å |
| c | 28.7138 ± 0.0009 Å |
| α | 87.7587 ± 0.0016° |
| β | 82.8945 ± 0.0017° |
| γ | 71.3079 ± 0.0016° |
| Cell volume | 3321.95 ± 0.18 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for all reflections | 0.0993 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9885 |
| 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. |
7036819.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. |
7036819.cif |
| 176086 | 2016-02-05 | cif/ Updating files of 7036819, 7036820, 7036821, 7036822 Original log message: Adding full bibliography for 7036819--7036822.cif. |
7036819.cif |
| 161112 | 2015-10-09 | cif/ Adding structures of 7036819, 7036820, 7036821, 7036822 via cif-deposit CGI script. |
7036819.cif |
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Users of the data should acknowledge the original authors of the
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