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Information card for entry 7708986
Preview
| Coordinates | 7708986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H26 Br2 N4 Pd |
|---|---|
| Calculated formula | C18 H26 Br2 N4 Pd |
| SMILES | [Pd](Br)(Br)(=C1N(c2ccccc2N1C(C)C)C(C)C)=C1N(C)C=CN1C |
| Title of publication | Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes |
| Authors of publication | Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 9.0107 ± 0.0006 Å |
| b | 16.9043 ± 0.0011 Å |
| c | 29.042 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4423.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0957 |
| Residual factor for significantly intense reflections | 0.0775 |
| Weighted residual factors for significantly intense reflections | 0.2051 |
| Weighted residual factors for all reflections included in the refinement | 0.2204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270968 (current) | 2021-12-02 | cif/ Adding structures of 7708982, 7708983, 7708984, 7708985, 7708986, 7708987, 7708988, 7708989 via cif-deposit CGI script. |
7708986.cif |
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Users of the data should acknowledge the original authors of the
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