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Information card for entry 1520026
Preview
| Coordinates | 1520026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [PtMe(CNXyl)2(TXPB-Me)] |
|---|---|
| Chemical name | [PtMe(CNXyl)2(TXPB-Me)] |
| Formula | C69.6 H77.2 B Cl5.2 N2 P Pt S |
| Calculated formula | C69.604 H77.208 B Cl5.208 N2 P Pt S |
| SMILES | [Pt]([P](c1ccccc1)(c1cc(cc2C(c3cc(cc(c3Sc12)[B](c1ccccc1)(c1ccccc1)C)C(C)(C)C)(C)C)C(C)(C)C)c1ccccc1)(C)(C#[N]c1c(C)cccc1C)C#[N]c1c(cccc1C)C.ClCCl.ClCCl.ClCCl |
| Title of publication | Bis-hydrocarbyl Platinum(II) Ambiphilic Ligand Complexes: Alkyl‒Aryl Exchange between Platinum and Boron |
| Authors of publication | Cowie, Bradley E.; Emslie, David J. H. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 12 |
| Pages of publication | 2737 |
| a | 13.4975 ± 0.0014 Å |
| b | 13.6666 ± 0.0014 Å |
| c | 19.036 ± 0.002 Å |
| α | 93.409 ± 0.002° |
| β | 105.034 ± 0.002° |
| γ | 95.788 ± 0.002° |
| Cell volume | 3360.6 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| 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. |
1520026.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. |
1520026.cif |
| 140196 | 2015-07-05 | cif/ Updating files of 1520023, 1520024, 1520025, 1520026 Original log message: Adding full bibliography for 1520023--1520026.cif. |
1520026.cif |
| 137435 | 2015-05-28 | cif/ Adding structures of 1520023, 1520024, 1520025, 1520026 via cif-deposit CGI script. |
1520026.cif |
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Users of the data should acknowledge the original authors of the
structural data.