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Information card for entry 7004885
Preview
| Coordinates | 7004885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Phosphinephosphonate)Pd(DCP-OMe) |
|---|---|
| Formula | C101 H106 O12 P6 Pd3 |
| Calculated formula | C101 H106 O12 P6 Pd3 |
| SMILES | [Pd]123([P](c4c(P(=O)(O1)O)cccc4)(c1ccccc1)c1ccccc1)[CH]1=[CH]2[C@@H]2[C@H](C1)[C@@H]1[C@@H](OC)[C@H]3[C@H]2C1.Cc1ccccc1.[Pd]123([P](c4c(P(=O)(O1)O)cccc4)(c1ccccc1)c1ccccc1)[CH]1=[CH]2[C@H]2[C@@H](C1)[C@H]1[C@H](OC)[C@@H]3[C@@H]2C1.Cc1ccccc1 |
| Title of publication | Novel palladium complexes employing mixed phosphine phosphonates and phosphine phosphinates as anionic chelating [P,O] ligands. |
| Authors of publication | Reisinger, Corinna M.; Nowack, Rüdiger J; Volkmer, Dirk; Rieger, Bernhard |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 2 |
| Pages of publication | 272 - 278 |
| a | 16.955 ± 0.003 Å |
| b | 33.696 ± 0.007 Å |
| c | 18.155 ± 0.004 Å |
| α | 90° |
| β | 116.24 ± 0.03° |
| γ | 90° |
| Cell volume | 9303 ± 4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1329 |
| Residual factor for significantly intense reflections | 0.0909 |
| Weighted residual factors for significantly intense reflections | 0.2618 |
| Weighted residual factors for all reflections included in the refinement | 0.2887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179752 (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 7/00/48. |
7004885.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004885.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004885.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7004885.cif |
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