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Information card for entry 4065982
Preview
| Coordinates | 4065982.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H37 Cl N3 O3 P Pd |
|---|---|
| Calculated formula | C36 H37 Cl N3 O3 P Pd |
| SMILES | [Pd]12(c3c(C4=[N]2[C@H](CN4c2ccc(cc2)OC)C(C)C)cccc3O[P@@]21OC([C@@H]1CCCN21)(c1ccccc1)c1ccccc1)Cl |
| Title of publication | Diphenylprolinol-Derived Symmetrical and Unsymmetrical Chiral Pincer Palladium(II) and Nickel(II) Complexes: Synthesis via One-Pot Phosphorylation/Metalation Reaction and C−H Activation |
| Authors of publication | Niu, Jun-Long; Chen, Qing-Tao; Hao, Xin-Qi; Zhao, Qing-Xiang; Gong, Jun-Fang; Song, Mao-Ping |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 9 |
| Pages of publication | 2148 |
| a | 10.277 ± 0.002 Å |
| b | 9.5577 ± 0.0019 Å |
| c | 17.088 ± 0.003 Å |
| α | 90° |
| β | 96.5 ± 0.03° |
| γ | 90° |
| Cell volume | 1667.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178552 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/59. |
4065982.cif |
| 132563 | 2015-02-28 | cif/ (antanas@koala.ibt.lt) Removed trailing "===END===" strings from values of '_refine_diff_density_rms' tag for 87 CIFs in range 4. |
4065982.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065982.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065982.cif |
| 33743 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065980, 4065981, 4065982, 4065983, 4065984 via cif-deposit CGI script. |
4065982.cif |
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