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Information card for entry 4085212
Preview
| Coordinates | 4085212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 6b in manuscript |
|---|---|
| Formula | C20 H41 Cl N2 P2 Pd |
| Calculated formula | C20 H41 Cl N2 P2 Pd |
| SMILES | [Pd]1(Cl)([P](c2n1ccn2)(C(C)(C)C)C(C)(C)C)[P](C)(C(C)(C)C)C(C)(C)C |
| Title of publication | 1,2-Bis(di-tert-butylphosphino)imidazole (dtbpi): A Versatile Imidazole-Based, Rigid, Bulky Bisphosphine Ligand for Transition Metals |
| Authors of publication | Brill, Marcel; Rominger, Frank; Hofmann, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 2 |
| Pages of publication | 506 |
| a | 14.6888 ± 0.001 Å |
| b | 12.6183 ± 0.0008 Å |
| c | 15.3563 ± 0.0012 Å |
| α | 90° |
| β | 118.521 ± 0.0017° |
| γ | 90° |
| Cell volume | 2500.8 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1415 |
| Weighted residual factors for all reflections included in the refinement | 0.1527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178741 (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 4/08/52. |
4085212.cif |
| 130780 | 2015-02-04 | cif/ Updating files of 4085206, 4085207, 4085208, 4085209, 4085210, 4085211, 4085212, 4085213, 4085214, 4085215, 4085216 Original log message: Adding full bibliography for 4085206--4085216.cif. |
4085212.cif |
| 129934 | 2015-01-17 | cif/ Adding structures of 4085206, 4085207, 4085208, 4085209, 4085210, 4085211, 4085212, 4085213, 4085214, 4085215, 4085216 via cif-deposit CGI script. |
4085212.cif |
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Users of the data should acknowledge the original authors of the
structural data.