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Information card for entry 4126509
Preview
| Coordinates | 4126509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PPNLGaNiH |
|---|---|
| Formula | C75 H90 Ga N5 Ni P5 |
| Calculated formula | C75 H90 Ga N5 Ni P5 |
| Title of publication | A bimetallic nickel-gallium complex catalyzes CO2 hydrogenation via the intermediacy of an anionic d(10) nickel hydride. |
| Authors of publication | Cammarota, Ryan C.; Vollmer, Matthew V.; Xie, Jing; Ye, Jingyun; Linehan, John C.; Burgess, Samantha A.; Appel, Aaron M.; Gagliardi, Laura; Lu, Connie C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 22.6991 ± 0.0012 Å |
| b | 13.8494 ± 0.0007 Å |
| c | 25.4751 ± 0.0012 Å |
| α | 90° |
| β | 103.819 ± 0.002° |
| γ | 90° |
| Cell volume | 7776.8 ± 0.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0874 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1516 |
| Weighted residual factors for all reflections included in the refinement | 0.1638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201470 (current) | 2017-09-29 | cif/ Adding structures of 4126509 via cif-deposit CGI script. |
4126509.cif |
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