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Information card for entry 4513822
Preview
| Coordinates | 4513822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 F3 Ir N3 O3 S |
|---|---|
| Calculated formula | C19 H23 F3 Ir N3 O3 S |
| Title of publication | A Prolific Catalyst for Selective Conversion of Neat Glycerol to Lactic Acid |
| Authors of publication | Lu, Zhiyao; Demianets, Ivan; Hamze, Rasha; Terrile, Nicholas J.; Williams, Travis J. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 2014 |
| a | 14.9292 ± 0.0012 Å |
| b | 12.2212 ± 0.001 Å |
| c | 12.2965 ± 0.001 Å |
| α | 90° |
| β | 109.506 ± 0.001° |
| γ | 90° |
| Cell volume | 2114.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0359 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0492 |
| Weighted residual factors for all reflections included in the refinement | 0.0527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181425 (current) | 2016-04-04 | cif/ Updating files of 4513822, 4513823, 4513824 Original log message: Adding full bibliography for 4513822--4513824.cif. |
4513822.cif |
| 176795 | 2016-02-21 | cif/ Adding structures of 4513822 via cif-deposit CGI script. |
4513822.cif |
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Users of the data should acknowledge the original authors of the
structural data.