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Information card for entry 7003659
Preview
| Coordinates | 7003659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H50 Cl12 N2 O6 P2 Pd2 |
|---|---|
| Calculated formula | C56 H48 Cl6 N2 O6 P2 Pd2 |
| SMILES | [Pd]12(OC(=CC(=[O]1)C)C)c1ccccc1P(c3ccccc3)(c3ccccc3)=[N]2C(=O)c1ccccc1C(=O)[N]([Pd]1(OC(=CC(=[O]1)C)C)c1c2cccc1)=P2(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Synthesis and structure of tetranuclear orthometallated Pd(ii) complexes derived from bis-iminophosphoranes |
| Authors of publication | Bielsa, Raquel; Navarro, Rafael; Soler, Tatiana; Urriolabeitia, Esteban P. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 13 |
| Pages of publication | 1787 - 1794 |
| a | 15.64371 ± 0.00014 Å |
| b | 29.8167 ± 0.0003 Å |
| c | 13.64503 ± 0.00009 Å |
| α | 90° |
| β | 90.1952 ± 0.0007° |
| γ | 90° |
| Cell volume | 6364.6 ± 0.1 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 7 |
| 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 | 0.0615 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1388 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179740 (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 7/00/36. |
7003659.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003659.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003659.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003659.cif |
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