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Information card for entry 1570716
Preview
| Coordinates | 1570716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H10 N4 |
|---|---|
| Calculated formula | C13 H10 N4 |
| SMILES | n1(nnc(c1)c1ccccc1)c1ccncc1 |
| Title of publication | The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene |
| Authors of publication | Riedel, Sophie; Gerwig, Maik; Gerlach, Daniela; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg |
| Journal of publication | Inorganics |
| Year of publication | 2023 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 473 |
| a | 5.677 ± 0.0004 Å |
| b | 7.1648 ± 0.0005 Å |
| c | 13.4102 ± 0.0011 Å |
| α | 75.071 ± 0.006° |
| β | 79.636 ± 0.006° |
| γ | 89.686 ± 0.006° |
| Cell volume | 517.96 ± 0.07 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0707 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288922 (current) | 2024-01-06 | cif/ Adding structures of 1570713, 1570714, 1570715, 1570716 via cif-deposit CGI script. |
1570716.cif |
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Users of the data should acknowledge the original authors of the
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