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Information card for entry 4513892
Preview
| Coordinates | 4513892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12.5 H20.5 Cl N3.5 O2 Si |
|---|---|
| Calculated formula | C12.5 H20.5 Cl N3.5 O2 Si |
| Title of publication | Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs |
| Authors of publication | von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Pages of publication | 4526 |
| a | 8.6635 ± 0.0005 Å |
| b | 9.8107 ± 0.0003 Å |
| c | 9.9624 ± 0.0006 Å |
| α | 90° |
| β | 92.613 ± 0.003° |
| γ | 90° |
| Cell volume | 845.87 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1278 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183482 (current) | 2016-06-16 | cif/ Adding structures of 4513888, 4513889, 4513890, 4513891, 4513892, 4513893, 4513894 via cif-deposit CGI script. |
4513892.cif |
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