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Information card for entry 7004933
Preview
| Coordinates | 7004933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H52 Cl2 N4 O10 P2 Pd2 S |
|---|---|
| Calculated formula | C45 H52 Cl2 N4 O10 P2 Pd2 S |
| SMILES | [Pd]123[S]4[Pd]5([P](CC[N]5=Cc5c4c(cc(c5)C(C)(C)C)C=[N]2CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[NH]=C(O3)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.OC |
| Title of publication | Coordination chemistry of dinucleating P2N2S ligands: preparation and characterization of cationic palladium complexes. |
| Authors of publication | Siedle, Gabriel; Lassahn, Paul-Gerhard; Lozan, Vasile; Janiak, Christoph; Kersting, Berthold |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 1 |
| Pages of publication | 52 - 61 |
| a | 12.694 ± 0.003 Å |
| b | 14.676 ± 0.003 Å |
| c | 15.751 ± 0.003 Å |
| α | 65.73 ± 0.03° |
| β | 69.65 ± 0.03° |
| γ | 89.49 ± 0.03° |
| Cell volume | 2477 ± 1.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0706 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179753 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/49. |
7004933.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004933.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004933.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7004933.cif |
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