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Information card for entry 7011549
Preview
| Coordinates | 7011549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 Cl2 N3 Pd |
|---|---|
| Calculated formula | C21 H23 Cl2 N3 Pd |
| SMILES | [Pd]12(Cl)[n]3c(C[NH]1c1ccc(cc1)C)cccc3C[NH]2c1ccc(cc1)C.[Cl-] |
| Title of publication | Revealing the diastereomeric nature of pincer terdentate nitrogen ligands 2,6-bis(arylaminomethyl)pyridine through coordination to palladium |
| Authors of publication | Arnáiz, Ana; Cuevas, José V.; García-Herbosa, Gabriel; Carbayo, Arancha; Casares, Juan A.; Gutierrez-Puebla, Enrique |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 12 |
| Pages of publication | 2581 |
| a | 13.731 ± 0.002 Å |
| b | 9.7092 ± 0.0013 Å |
| c | 17.23 ± 0.002 Å |
| α | 90° |
| β | 110.188 ± 0.002° |
| γ | 90° |
| Cell volume | 2155.9 ± 0.5 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1421 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.1487 |
| Weighted residual factors for all reflections included in the refinement | 0.1773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.916 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287896 (current) | 2023-11-30 | cif/ Removed several data items related to the submission of the original publication from multiple entries. |
7011549.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011549.cif |
| 179819 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/15. |
7011549.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011549.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011549.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011549.cif |
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