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Information card for entry 1568277
Preview
| Coordinates | 1568277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46.35 H66.39 Cu N4 O5.15 |
|---|---|
| Calculated formula | C46.343 H66.38 Cu N4 O5.152 |
| Title of publication | C(sp<sup>3</sup>)-H cyanation by a formal copper(iii) cyanide complex. |
| Authors of publication | Bower, Jamey K.; Reese, Maxwell S.; Mazin, Ilia M.; Zarnitsa, Lina M.; Cypcar, Andrew D.; Moore, Curtis E.; Sokolov, Alexander Yu; Zhang, Shiyu |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 1301 - 1307 |
| a | 13.0154 ± 0.0003 Å |
| b | 15.4677 ± 0.0003 Å |
| c | 22.5915 ± 0.0005 Å |
| α | 90° |
| β | 97.887 ± 0.001° |
| γ | 90° |
| Cell volume | 4505.06 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0587 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1399 |
| Weighted residual factors for all reflections included in the refinement | 0.1487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281350 (current) | 2023-03-04 | cif/ Updating files of 1568276, 1568277 Original log message: Adding full bibliography for 1568276--1568277.cif. |
1568277.cif |
| 280352 | 2023-01-17 | cif/ Adding structures of 1568276, 1568277 via cif-deposit CGI script. |
1568277.cif |
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Users of the data should acknowledge the original authors of the
structural data.