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Information card for entry 7709527
Preview
| Coordinates | 7709527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H67 Mg N7 O Se |
|---|---|
| Calculated formula | C64 H67 Mg N7 O Se |
| 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 | 22.435 ± 0.003 Å |
| b | 22.776 ± 0.003 Å |
| c | 22.188 ± 0.003 Å |
| α | 90° |
| β | 104.728 ± 0.004° |
| γ | 90° |
| Cell volume | 10965 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.2098 |
| Residual factor for significantly intense reflections | 0.1361 |
| Weighted residual factors for significantly intense reflections | 0.3464 |
| Weighted residual factors for all reflections included in the refinement | 0.3959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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. |
7709527.cif |
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Users of the data should acknowledge the original authors of the
structural data.