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Information card for entry 1550991
Preview
| Coordinates | 1550991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C141 H188 Br4 Cl10 O8 P4 Pd4 |
|---|---|
| Calculated formula | C141 H188 Br4 Cl9.9999 O8 P4 Pd4 |
| Title of publication | Mechanochemistry allows carrying out sensitive organometallic reactions in air: Glove-box-and-Schlenk-line-free synthesis of oxidative addition complexes from aryl halides and palladium(0) |
| Authors of publication | Kubota, Koji; Takahashi, Rina; Ito, Hajime |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 13.8478 ± 0.0002 Å |
| b | 18.2868 ± 0.0002 Å |
| c | 28.8141 ± 0.0002 Å |
| α | 95.321 ± 0.001° |
| β | 96.59 ± 0.001° |
| γ | 92.188 ± 0.001° |
| Cell volume | 7208.41 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0594 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1505 |
| Weighted residual factors for all reflections included in the refinement | 0.1539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214981 (current) | 2019-05-08 | cif/ Adding structures of 1550991 via cif-deposit CGI script. |
1550991.cif |
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