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Information card for entry 4347735
Preview
| Coordinates | 4347735.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H22 Cl4 N2 Pd |
|---|---|
| Calculated formula | C17 H21 Cl4 N2 Pd |
| Title of publication | C-H Activation in Primary 3-Phenylpropylamines: Synthesis of Seven-Membered Palladacycles through Orthometalation. Stoichiometric Preparation of Benzazepinones and Catalytic Synthesis of Ureas. |
| Authors of publication | Frutos-Pedreño, Roberto; García-Sánchez, Eva; Oliva-Madrid, María José; Bautista, Delia; Martínez-Viviente, Eloísa; Saura-Llamas, Isabel; Vicente, José |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 11 |
| Pages of publication | 5520 - 5533 |
| a | 11.3 ± 0.002 Å |
| b | 11.661 ± 0.002 Å |
| c | 16.564 ± 0.003 Å |
| α | 105.194 ± 0.006° |
| β | 100.584 ± 0.006° |
| γ | 94.306 ± 0.006° |
| Cell volume | 2053 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232477 (current) | 2019-11-23 | cif/ Adding structures of 4347735, 4347736, 4347737, 4347738 via cif-deposit CGI script. |
4347735.cif |
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Users of the data should acknowledge the original authors of the
structural data.