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Information card for entry 7122841
Preview
| Coordinates | 7122841.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H12 Li N O3 |
|---|---|
| Calculated formula | C9 H12 Li N O3 |
| Title of publication | Diverse outcomes of CO2 fixation using alkali metal amides including formation of a heterobimetallic lithium‒sodium carbamato-anhydride via lithium‒sodium bis-hexamethyldisilazide |
| Authors of publication | Gauld, Richard M.; Kennedy, Alan R.; McLellan, Ross; Barker, Jim; Reid, Jacqueline; Mulvey, Robert E. |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 5.4312 ± 0.001 Å |
| b | 7.6252 ± 0.0016 Å |
| c | 12.092 ± 0.002 Å |
| α | 84.577 ± 0.015° |
| β | 87.445 ± 0.014° |
| γ | 76.369 ± 0.017° |
| Cell volume | 484.37 ± 0.16 Å3 |
| Cell temperature | 153 K |
| Ambient diffraction temperature | 153 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1196 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1507 |
| Weighted residual factors for all reflections included in the refinement | 0.1939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213084 (current) | 2019-01-16 | cif/ Adding structures of 7122840, 7122841, 7122842 via cif-deposit CGI script. |
7122841.cif |
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Users of the data should acknowledge the original authors of the
structural data.