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Information card for entry 7718134
Preview
| Coordinates | 7718134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46.5 H37.5 Cl2.5 Cu N5 O5 P2 |
|---|---|
| Calculated formula | C46 H37 Cl Cu N5 O5 P2 |
| Title of publication | A novel type of heteroleptic Cu(I) complexes featuring nitrogen-rich tetrazine ligands: Syntheses, Crystal Structures, Spectral properties, Cyclic Voltammetry, and Theoretical Calculations |
| Authors of publication | Sztula, Adam; Antal, Peter; Nemec, Ivan; Kubala, Martin; Herchel, Radovan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 11.6942 ± 0.0001 Å |
| b | 15.0439 ± 0.0001 Å |
| c | 25.7657 ± 0.0002 Å |
| α | 90° |
| β | 99.309 ± 0.001° |
| γ | 90° |
| Cell volume | 4473.17 ± 0.06 Å3 |
| Cell temperature | 297.8 ± 0.3 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1147 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297856 (current) | 2025-02-26 | cif/ Adding structures of 7718132, 7718133, 7718134, 7718135 via cif-deposit CGI script. |
7718134.cif |
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