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Information card for entry 4514623
Preview
| Coordinates | 4514623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ZCII_74 |
|---|---|
| Chemical name | ZCII_74 |
| Formula | C28 H46 Cl2 F3 Ir O5 P2 S |
| Calculated formula | C28 H46 Cl2 F3 Ir O5 P2 S |
| Title of publication | Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System |
| Authors of publication | Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 9317 |
| a | 15.492 ± 0.005 Å |
| b | 24.393 ± 0.005 Å |
| c | 18.535 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7004 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0787 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.1401 |
| Weighted residual factors for all reflections included in the refinement | 0.1446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.203 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219808 (current) | 2019-10-28 | cif/ Adding structures of 4514623 via cif-deposit CGI script. |
4514623.cif |
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Users of the data should acknowledge the original authors of the
structural data.