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Information card for entry 7705042
Preview
| Coordinates | 7705042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H106 B2 F30 N4 O S2 |
|---|---|
| Calculated formula | C106 H106 B2 F30 N4 O S2 |
| SMILES | [S]([S]=C1N(c2c(cccc2C(C)C)C(C)C)C=C(N1c1c(C(C)C)cccc1C(C)C)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)=C1N(C(=CN1c1c(C(C)C)cccc1C(C)C)[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(C(C)C)cccc1C(C)C.O1CCCC1.CCCCCC.C(C)CCCC |
| Title of publication | Chalcogen complexes of anionic N-heterocyclic carbenes. |
| Authors of publication | Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 38 |
| Pages of publication | 13207 - 13217 |
| a | 17.063 ± 0.0008 Å |
| b | 17.131 ± 0.001 Å |
| c | 19.491 ± 0.001 Å |
| α | 91.18 ± 0.004° |
| β | 90.88 ± 0.004° |
| γ | 119.76 ± 0.006° |
| Cell volume | 4942.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0976 |
| Residual factor for significantly intense reflections | 0.0821 |
| Weighted residual factors for significantly intense reflections | 0.2221 |
| Weighted residual factors for all reflections included in the refinement | 0.2285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258869 (current) | 2020-11-06 | cif/ Updating files of 7705040, 7705041, 7705042, 7705043, 7705044, 7705045, 7705046, 7705047, 7705048, 7705049, 7705050 Original log message: Adding full bibliography for 7705040--7705050.cif. |
7705042.cif |
| 255151 | 2020-08-07 | cif/ Adding structures of 7705040, 7705041, 7705042, 7705043, 7705044, 7705045, 7705046, 7705047, 7705048, 7705049, 7705050 via cif-deposit CGI script. |
7705042.cif |
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Users of the data should acknowledge the original authors of the
structural data.