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Information card for entry 7103654
Preview
| Coordinates | 7103654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H34 Cl4 P2 Pd |
|---|---|
| Calculated formula | C30 H34 Cl4 P2 Pd |
| SMILES | [Pd]1(Cl)(Cl)[P@@]23[C@H](C[C@@H]([P@@]41C(=C(C(=C4c1ccccc1)C)C)C2=C(C(=C3c1ccccc1)C)C)C)C.C(Cl)Cl |
| Authors of publication | C.Ortega-Alfaro; M.Gouygou; J.-C.Daran |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 9.1318 ± 0.0007 Å |
| b | 12.1101 ± 0.0011 Å |
| c | 14.1276 ± 0.001 Å |
| α | 90° |
| β | 104.042 ± 0.008° |
| γ | 90° |
| Cell volume | 1515.6 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for significantly intense reflections | 0.0487 |
| Weighted residual factors for all reflections included in the refinement | 0.0497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| 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 |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7103654.cif |
| 180139 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/36. |
7103654.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103654.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103654.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103654.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103654.cif |
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Users of the data should acknowledge the original authors of the
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