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Information card for entry 4071104
Preview
| Coordinates | 4071104.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H43 F6 N2 O2 P Pd |
|---|---|
| Calculated formula | C42 H43 F6 N2 O2 P Pd |
| SMILES | c12[Pd]3[N]4([C@@H](CCC4)C(O)(c4ccccc4)c4ccccc4)Cc1cccc2C[N]13CCC[C@H]1C(O)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents |
| Authors of publication | Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 11 |
| Pages of publication | 2549 |
| a | 10.4019 ± 0.0001 Å |
| b | 10.4019 ± 0.0001 Å |
| c | 34.9279 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3779.18 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| 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 |
|---|---|---|---|
| 178600 (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 4/07/11. |
4071104.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071104.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071104.cif |
| 43045 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071102, 4071103, 4071104, 4071105 via cif-deposit CGI script. |
4071104.cif |
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