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Information card for entry 4514208
Preview
| Coordinates | 4514208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H25 F3 Ir N3 O5 S |
|---|---|
| Calculated formula | C20 H25 F3 Ir N3 O5 S |
| Title of publication | Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base |
| Authors of publication | Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 10 |
| Pages of publication | 7226 |
| a | 9.5878 ± 0.0015 Å |
| b | 10.2028 ± 0.0016 Å |
| c | 11.8401 ± 0.0018 Å |
| α | 83.082 ± 0.003° |
| β | 88.989 ± 0.003° |
| γ | 83.868 ± 0.003° |
| Cell volume | 1143.2 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for all reflections included in the refinement | 0.0447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202646 (current) | 2017-11-07 | cif/ Updating files of 4514207, 4514208 Original log message: Adding full bibliography for 4514207--4514208.cif. |
4514208.cif |
| 201308 | 2017-09-27 | cif/ Adding structures of 4514208 via cif-deposit CGI script. |
4514208.cif |
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Users of the data should acknowledge the original authors of the
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