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Information card for entry 1552987
Preview
| Coordinates | 1552987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H70 N2 |
|---|---|
| Calculated formula | C46 H70 N2 |
| 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 | 9.5494 ± 0.0005 Å |
| b | 12.1924 ± 0.0006 Å |
| c | 17.6614 ± 0.0008 Å |
| α | 86.558 ± 0.002° |
| β | 84.548 ± 0.002° |
| γ | 76.62 ± 0.002° |
| Cell volume | 1989.92 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0467 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232932 (current) | 2019-11-23 | cif/ Adding structures of 1552985, 1552986, 1552987 via cif-deposit CGI script. |
1552987.cif |
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Users of the data should acknowledge the original authors of the
structural data.