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Information card for entry 7714456
Preview
| Coordinates | 7714456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H51 Ga N4 O2 |
|---|---|
| Calculated formula | C43 H51 Ga N4 O2 |
| SMILES | [Ga]12(N(c3c(cccc3C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)N(C(=O)N(c1ccccc1)C2=O)c1ccccc1 |
| Title of publication | 1,3-C-H bond activation on a transient gallium(I)/isocyanate adduct. |
| Authors of publication | Puthiyaveetil, Sruthi S.; Kassymbek, Aishabibi; Dmitrienko, Anton; Pilkington, Melanie; Nikonov, Georgii I. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| a | 13.254 ± 0.002 Å |
| b | 12.136 ± 0.002 Å |
| c | 24.327 ± 0.004 Å |
| α | 90° |
| β | 97.271 ± 0.006° |
| γ | 90° |
| Cell volume | 3881.5 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1319 |
| Residual factor for significantly intense reflections | 0.1087 |
| Weighted residual factors for significantly intense reflections | 0.2423 |
| Weighted residual factors for all reflections included in the refinement | 0.2544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287571 (current) | 2023-11-14 | cif/ Adding structures of 7714455, 7714456, 7714457 via cif-deposit CGI script. |
7714456.cif |
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Users of the data should acknowledge the original authors of the
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