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Information card for entry 4517836
Preview
| Coordinates | 4517836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cp*Ir(2pyridyl-sulfonamide)nitrate |
|---|---|
| Formula | C15 H20 Ir N3 O5 S |
| Calculated formula | C15 H20 Ir N3 O5 S |
| Title of publication | Extremely Fast NADH-Regeneration Using Phosphonic Acid as Hydride Source and Iridium-pyridine-2-sulfonamidate Catalysts |
| Authors of publication | Tensi, Leonardo; Macchioni, Alceo |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 7945 |
| a | 8.656 ± 0.0005 Å |
| b | 14.5247 ± 0.001 Å |
| c | 14.4235 ± 0.001 Å |
| α | 90° |
| β | 95.387 ± 0.003° |
| γ | 90° |
| Cell volume | 1805.4 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0223 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0488 |
| Weighted residual factors for all reflections included in the refinement | 0.0502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Ka |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254028 (current) | 2020-07-07 | cif/ Adding structures of 4517836 via cif-deposit CGI script. |
4517836.cif |
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