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Information card for entry 7044613
Preview
| Coordinates | 7044613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 Br2 F12 N2 O16 Pd3 |
|---|---|
| Calculated formula | C24 H14 Br2 F12 N2 O10 Pd3 |
| 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 | 11.5323 ± 0.0014 Å |
| b | 17.832 ± 0.002 Å |
| c | 18.105 ± 0.002 Å |
| α | 112.321 ± 0.006° |
| β | 96.629 ± 0.006° |
| γ | 105.443 ± 0.005° |
| Cell volume | 3220.4 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1233 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.1942 |
| Weighted residual factors for all reflections included in the refinement | 0.2414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202511 (current) | 2017-11-02 | cif/ Adding structures of 7044613, 7044614 via cif-deposit CGI script. |
7044613.cif |
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Users of the data should acknowledge the original authors of the
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