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Information card for entry 4075665
Preview
| Coordinates | 4075665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H31 Br0.16 Cl1.84 N P2 Pd |
|---|---|
| Calculated formula | C33 H31 Br0.163 Cl1.837 N P2 Pd |
| SMILES | [Pd]12(Cl)(Cl)P(=[N]2[C@H](C)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Pd]12(Cl)(Cl)P(=[N]2[C@H](C)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Pd]12(Cl)(Cl)P(=[N]2[C@H](C)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Pd]12(Cl)(Cl)P(=[N]2[C@H](C)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Pd]12(Cl)(Cl)P(=[N]2[C@H](C)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Pd]12(Cl)(Br)P(=[N]2[C@H](C)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers |
| Authors of publication | Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 6 |
| Pages of publication | 1065 |
| a | 12.322 ± 0.001 Å |
| b | 13.667 ± 0.001 Å |
| c | 17.679 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2977.2 ± 0.4 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178645 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/56. |
4075665.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075665.cif |
| 50609 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075662, 4075663, 4075664, 4075665, 4075666, 4075667, 4075668 via cif-deposit CGI script. |
4075665.cif |
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Users of the data should acknowledge the original authors of the
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