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Information card for entry 7251157
Preview
| Coordinates | 7251157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H12 Cu N16 O4 |
|---|---|
| Calculated formula | C8 H12 Cu N16 O4 |
| Title of publication | Aqua and ammine 3d metal complexes with anion-radical of difurazanopyrazine |
| Authors of publication | Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Morozov, Vitaliy A.; Samsonenko, Arkady A.; Romanenko, Galina; Bogomyakov, Artem |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 8.3743 ± 0.0003 Å |
| b | 10.4991 ± 0.0004 Å |
| c | 9.5646 ± 0.0004 Å |
| α | 90° |
| β | 108.107 ± 0.0018° |
| γ | 90° |
| Cell volume | 799.3 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0313 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303097 (current) | 2025-10-30 | cif/ Adding structures of 7251156, 7251157, 7251158, 7251159 via cif-deposit CGI script. |
7251157.cif |
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Users of the data should acknowledge the original authors of the
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