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Information card for entry 4071599
Preview
| Coordinates | 4071599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H52 Br2 Cl4 N2 Ni P4 |
|---|---|
| Calculated formula | C54 H52 Br2 Cl4 N2 Ni P4 |
| SMILES | [Ni]123[P](CP(=[N]2CC[N]3=P(C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.[Br-].[Br-] |
| Title of publication | A Mixed Phosphine−Iminophosphorane Tetradentate Ligand: Synthesis, Coordination to Group 10 Metal Centers, and Use as Catalyst in Suzuki−Miyaura Coupling |
| Authors of publication | Buchard, Antoine; Komly, Bruno; Auffrant, Audrey; Le Goff, Xavier F.; Floch, Pascal Le |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 17 |
| Pages of publication | 4380 |
| a | 12.498 ± 0.001 Å |
| b | 13.157 ± 0.001 Å |
| c | 16.541 ± 0.001 Å |
| α | 86.688 ± 0.001° |
| β | 86.511 ± 0.001° |
| γ | 78.482 ± 0.001° |
| Cell volume | 2657.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0796 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1483 |
| Weighted residual factors for all reflections included in the refinement | 0.1604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178604 (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 4/07/15. |
4071599.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071599.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071599.cif |
| 43939 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071599, 4071600 via cif-deposit CGI script. |
4071599.cif |
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