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Information card for entry 4513826
Preview
| Coordinates | 4513826.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | cis-(ITMe)2Pd(SiMe2Ph)2 |
|---|---|
| Formula | C33 H49 N4 Pd Si2 |
| Calculated formula | C33 H49 N4 Pd Si2 |
| Title of publication | (N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies |
| Authors of publication | Ansell, Melvyn B.; Spencer, John; Navarro, Oscar |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 2192 |
| a | 11.8802 ± 0.0006 Å |
| b | 12.1897 ± 0.0005 Å |
| c | 13.9679 ± 0.0005 Å |
| α | 86.341 ± 0.003° |
| β | 73.708 ± 0.004° |
| γ | 63.295 ± 0.005° |
| Cell volume | 1729.87 ± 0.16 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181411 (current) | 2016-04-04 | cif/ Updating files of 4513825, 4513826, 4513827 Original log message: Adding full bibliography for 4513825--4513827.cif. |
4513826.cif |
| 177042 | 2016-02-28 | cif/ Adding structures of 4513826 via cif-deposit CGI script. |
4513826.cif |
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Users of the data should acknowledge the original authors of the
structural data.