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Information card for entry 4088990
Preview
| Coordinates | 4088990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H114 B22 Li2 O8 P2 Pd |
|---|---|
| Calculated formula | C45.996 H113.992 B22 Li2 O7.999 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 | 11.169 ± 0.003 Å |
| b | 17.028 ± 0.004 Å |
| c | 18.824 ± 0.004 Å |
| α | 79.872 ± 0.004° |
| β | 89.316 ± 0.004° |
| γ | 83.876 ± 0.004° |
| Cell volume | 3504.1 ± 1.5 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 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 | 0.081 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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. |
4088990.cif |
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Users of the data should acknowledge the original authors of the
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