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Information card for entry 7031532
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| Coordinates | 7031532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 F2 N2 O4 Pd2 |
|---|---|
| Calculated formula | C18 H20 F2 N2 O4 Pd2 |
| SMILES | c12cc(ccc1C[NH2][Pd]12[O]=C(O[Pd]2(c3cc(ccc3C[NH2]2)F)[O]=C(O1)C)C)F |
| Title of publication | A kinetico-mechanistic study on the C-H bond activation of primary benzylamines; cooperative and solid-state cyclopalladation on dimeric complexes. |
| Authors of publication | Font, Helena; Font-Bardia, Mercè; Gómez, Kerman; González, Gabriel; Granell, Jaume; Macho, Israel; Martínez, Manuel |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 36 |
| Pages of publication | 13525 - 13536 |
| a | 19.3777 ± 0.0018 Å |
| b | 8.1701 ± 0.0009 Å |
| c | 13.6078 ± 0.0012 Å |
| α | 90° |
| β | 116.645 ± 0.003° |
| γ | 90° |
| Cell volume | 1925.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0561 |
| Weighted residual factors for all reflections included in the refinement | 0.0624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180021 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/15. |
7031532.cif |
| 123454 | 2014-09-08 | cif/ Updating files of 7031532, 7031533 Original log message: Adding full bibliography for 7031532--7031533.cif. |
7031532.cif |
| 118925 | 2014-07-03 | cif/ Adding structures of 7031532, 7031533 via cif-deposit CGI script. |
7031532.cif |
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Users of the data should acknowledge the original authors of the
structural data.