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Information card for entry 1574738
Preview
| Coordinates | 1574738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H130 Ca N5 |
|---|---|
| Calculated formula | C79 H123 Ca N5 |
| Title of publication | Reductive cyclotrimerization of CO and isonitriles with a highly reactive CaI synthon |
| Authors of publication | Thum, Stefan; Mai, Jonathan; Schmidt, Marcel A.; Langer, Jens; Harder, Sjoerd |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 26 |
| Pages of publication | 12058 - 12067 |
| a | 13.598 ± 0.0004 Å |
| b | 14.8279 ± 0.0005 Å |
| c | 21.9613 ± 0.0007 Å |
| α | 75.108 ± 0.003° |
| β | 77.232 ± 0.003° |
| γ | 64.237 ± 0.003° |
| Cell volume | 3823.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300575 (current) | 2025-07-06 | cif/ Updating files of 1574737, 1574738, 1574739, 1574740, 1574741 Original log message: Adding full bibliography for 1574737--1574741.cif. |
1574738.cif |
| 299829 | 2025-05-28 | cif/ Adding structures of 1574737, 1574738, 1574739, 1574740, 1574741 via cif-deposit CGI script. |
1574738.cif |
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Users of the data should acknowledge the original authors of the
structural data.