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Information card for entry 7007795
Preview
| Coordinates | 7007795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H43 Cl2 Fe N O7 P2 Pd Si |
|---|---|
| Calculated formula | C41 H43 Cl2 Fe N O7 P2 Pd Si |
| SMILES | [Pd]12([Fe]([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)([Si]([O]2C)(OC)OC)(C#[O])(C#[O])C#[O])C(=N\c1ccccc1OC)/C.ClCCl |
| Title of publication | Insertion reactions of alkynes and organic isocyanides into the palladium-carbon bond of dimetallic Fe-Pd alkoxysilyl complexes. |
| Authors of publication | Knorr, Michael; Jourdain, Isabelle; Braunstein, Pierre; Strohmann, Carsten; Tiripicchio, Antonio; Ugozzoli, Franco |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 44 |
| Pages of publication | 5248 - 5258 |
| a | 10.88 ± 0.013 Å |
| b | 26.56 ± 0.03 Å |
| c | 15.165 ± 0.016 Å |
| α | 90° |
| β | 96.77 ± 0.09° |
| γ | 90° |
| Cell volume | 4352 ± 9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.1608 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179781 (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 7/00/77. |
7007795.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007795.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007795.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007795.cif |
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Users of the data should acknowledge the original authors of the
structural data.