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Information card for entry 1564715
Preview
| Coordinates | 1564715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H131 Al2 Cu K N4 O2 |
|---|---|
| Calculated formula | C97 H131 Al2 Cu K N4 O2 |
| Title of publication | Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide |
| Authors of publication | Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 12.839 ± 0.0003 Å |
| b | 18.1142 ± 0.0003 Å |
| c | 22.4774 ± 0.0005 Å |
| α | 97.788 ± 0.002° |
| β | 101.49 ± 0.002° |
| γ | 107.207 ± 0.002° |
| Cell volume | 4786.76 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 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 all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Weighted residual factors for all reflections included in the refinement | 0.175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269266 (current) | 2021-09-24 | cif/ Adding structures of 1564715, 1564716, 1564717, 1564718, 1564719, 1564720, 1564721, 1564722 via cif-deposit CGI script. |
1564715.cif |
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Users of the data should acknowledge the original authors of the
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