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Information card for entry 7012622
Preview
| Coordinates | 7012622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H29 F6 N O2 P2 Pd |
|---|---|
| Calculated formula | C23 H29 F6 N O2 P2 Pd |
| SMILES | [Pd]123([P](OC(C)(C)C4OCC([N]1=4)(C)C)(c1ccccc1)c1ccccc1)C[CH]3=[CH2]2.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Monohapto-allyl Pd(ii) complexes with bidentate hybrid P,N ligandsElectronic supplementary information (ESI) available: preparations and selected spectroscopic data for 1 and 4‒6. See http://www.rsc.org/suppdata/dt/b2/b212393m/ |
| Authors of publication | Braunstein, Pierre; Zhang, Jing; Welter, Richard |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 4 |
| Pages of publication | 507 |
| a | 15.136 ± 0.005 Å |
| b | 17.392 ± 0.005 Å |
| c | 20.248 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 5330 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0663 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
| Diffraction radiation wavelength | 0.71069 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. |
7012622.cif |
| 179830 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/26. |
7012622.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012622.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012622.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012622.cif |
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