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Information card for entry 4088992
Preview
| Coordinates | 4088992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H93 B22 Li O4 P2 Pd |
|---|---|
| Calculated formula | C36 H93 B22 Li O4 P2 Pd |
| Title of publication | Changing the Charge: Electrostatic Effects in Pd-Catalyzed Cross-Coupling |
| Authors of publication | Chan, Allen L.; Estrada, Jess; Kefalidis, Christos E.; Lavallo, Vincent |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 19 |
| Pages of publication | 3257 |
| a | 19.1204 ± 0.0004 Å |
| b | 16.5121 ± 0.0004 Å |
| c | 19.7932 ± 0.0004 Å |
| α | 90° |
| β | 115.827 ± 0.0007° |
| γ | 90° |
| Cell volume | 5624.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237916 (current) | 2019-11-24 | cif/ Adding structures of 4088990, 4088991, 4088992, 4088993 via cif-deposit CGI script. |
4088992.cif |
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Users of the data should acknowledge the original authors of the
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