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Information card for entry 7711026
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| Coordinates | 7711026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MAM-330 |
|---|---|
| Formula | C11 H9 N3 S |
| Calculated formula | C11 H9 N3 S |
| SMILES | S=C1N(C=CN1C)c1ccc(cc1)[N]#[C] |
| Title of publication | First synthesis of an isocyanide-functionalized imidazolium salt and transition metal complexes thereof |
| Authors of publication | Ruiz, Javier; Mateo, María A. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 12.3905 ± 0.0002 Å |
| b | 11.4798 ± 0.0002 Å |
| c | 14.2875 ± 0.0003 Å |
| α | 90° |
| β | 93.835 ± 0.0009° |
| γ | 90° |
| Cell volume | 2027.71 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277330 (current) | 2022-08-20 | cif/ Adding structures of 7711026, 7711027, 7711028, 7711029 via cif-deposit CGI script. |
7711026.cif |
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Users of the data should acknowledge the original authors of the
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