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Information card for entry 1552985
Preview
| Coordinates | 1552985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H73 Br N2 O |
|---|---|
| Calculated formula | C46 H73 Br N2 O |
| Title of publication | Singlet carbenes as mimics for transition metals: synthesis of an air stable organic mixed valence compound [M2(C2)+˙; M = cyclic(alkyl)(amino)carbene] |
| Authors of publication | Jin, Liqun; Melaimi, Mohand; Liu, Liu; Bertrand, Guy |
| Journal of publication | Org. Chem. Front. |
| Year of publication | 2014 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | 351 |
| a | 9.3761 ± 0.0009 Å |
| b | 13.3939 ± 0.0013 Å |
| c | 16.9447 ± 0.0017 Å |
| α | 90° |
| β | 101.929 ± 0.002° |
| γ | 90° |
| Cell volume | 2082 ± 0.4 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0886 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1034 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232932 (current) | 2019-11-23 | cif/ Adding structures of 1552985, 1552986, 1552987 via cif-deposit CGI script. |
1552985.cif |
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Users of the data should acknowledge the original authors of the
structural data.