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Information card for entry 1558481
Preview
| Coordinates | 1558481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C101 H157 Cl Ir N2 Si7 |
|---|---|
| Calculated formula | C101 H157 Cl Ir N2 Si7 |
| Title of publication | Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization |
| Authors of publication | Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 16.5707 ± 0.0018 Å |
| b | 16.9084 ± 0.0019 Å |
| c | 21.231 ± 0.002 Å |
| α | 105.174 ± 0.004° |
| β | 96.576 ± 0.004° |
| γ | 109.461 ± 0.004° |
| Cell volume | 5278.5 ± 1 Å3 |
| Cell temperature | 232 ± 2 K |
| Ambient diffraction temperature | 232 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0797 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1193 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253684 (current) | 2020-07-03 | cif/ Adding structures of 1558481, 1558482, 1558483, 1558484, 1558485, 1558486 via cif-deposit CGI script. |
1558481.cif |
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Users of the data should acknowledge the original authors of the
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