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Information card for entry 4135612
Preview
| Coordinates | 4135612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H52 Ir2 N4 O14 S2 |
|---|---|
| Calculated formula | C38 H52 Ir2 N4 O14 S2 |
| Title of publication | Catalytic Hydrogenation of CO<sub>2</sub> to Methanol Using Multinuclear Iridium Complexes in a Gas-Solid Phase Reaction. |
| Authors of publication | Kanega, Ryoichi; Onishi, Naoya; Tanaka, Shinji; Kishimoto, Haruo; Himeda, Yuichiro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2021 |
| Journal volume | 143 |
| Journal issue | 3 |
| Pages of publication | 1570 - 1576 |
| a | 10.162 ± 0.006 Å |
| b | 10.528 ± 0.006 Å |
| c | 10.914 ± 0.005 Å |
| α | 64.682 ± 0.009° |
| β | 89.99 ± 0.02° |
| γ | 89.904 ± 0.016° |
| Cell volume | 1055.5 ± 1 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 | 0.0379 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261477 (current) | 2021-02-04 | cif/ Adding structures of 4135612 via cif-deposit CGI script. |
4135612.cif |
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Users of the data should acknowledge the original authors of the
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