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Information card for entry 7044614
Preview
| Coordinates | 7044614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H25 Br2 F6 N2 O11.5 Pd2 |
|---|---|
| Calculated formula | C20 H14 Br2 F6 N2 O6 Pd2 |
| SMILES | c12c(cc(cc1)Br)NC(C)=[O][Pd]12[O]=C(O[Pd]2(c3c(cc(cc3)Br)NC(C)=[O]2)[O]=C(O1)C(F)(F)F)C(F)(F)F |
| Title of publication | The Role of Trinuclear Species in Palladium Acetate/Trifluoroacetic Acid Catalytic System |
| Authors of publication | Váňa, Jiří; Lang, Jan; Šoltésová, Mária; Hanusek, Jiri; Růžička, Aleš; Sedlák, Miloš; Roithova, Jana |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 26.08 ± 0.0017 Å |
| b | 26.08 ± 0.0017 Å |
| c | 28.279 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 16657.5 ± 1.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0762 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202511 (current) | 2017-11-02 | cif/ Adding structures of 7044613, 7044614 via cif-deposit CGI script. |
7044614.cif |
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Users of the data should acknowledge the original authors of the
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