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Information card for entry 7709526
Preview
| Coordinates | 7709526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H80 Ga N2 Na O6 |
|---|---|
| Calculated formula | C54 H80 Ga N2 Na O6 |
| Title of publication | Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles |
| Authors of publication | Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 13.0889 ± 0.0004 Å |
| b | 19.0945 ± 0.0006 Å |
| c | 21.5669 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5390.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272984 (current) | 2022-02-16 | cif/ Adding structures of 7709521, 7709522, 7709523, 7709524, 7709525, 7709526, 7709527, 7709528 via cif-deposit CGI script. |
7709526.cif |
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Users of the data should acknowledge the original authors of the
structural data.