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Information card for entry 7000783
Preview
| Coordinates | 7000783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H30 Cl2 F2 N4 O2 Pd |
|---|---|
| Calculated formula | C26 H30 Cl2 F2 N4 O2 Pd |
| SMILES | C1(C)(CCC(=[N]1[Pd]([N]1C(C)(C)CCC=1NC(=O)c1ccc(F)cc1)(Cl)Cl)NC(=O)c1ccc(F)cc1)C |
| Title of publication | PdII-promoted [2 + 3] cycloaddition of pyrroline N-oxide to organonitriles. Application of (Δ4-1,2,4-oxadiazoline)-PdII complexes in the Suzuki‒Miyaura reaction |
| Authors of publication | Lasri, Jamal; da Silva, M. Fátima C. Guedes; Kopylovich, Maximilian N.; Mukhopadhyay, Suman; Charmier, M. Adília Januário; Pombeiro, Armando J. L. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 12 |
| Pages of publication | 2210 - 2216 |
| a | 7.309 ± 0.0014 Å |
| b | 9.408 ± 0.0018 Å |
| c | 10.818 ± 0.002 Å |
| α | 105.666 ± 0.011° |
| β | 105.464 ± 0.012° |
| γ | 102.764 ± 0.01° |
| Cell volume | 655 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0675 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7000783.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000783.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000783.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000783.cif |
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