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Information card for entry 7716626
Preview
| Coordinates | 7716626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23.5 H24 Cl Cu F12 N4 O6 |
|---|---|
| Calculated formula | C23.5 H24 Cl Cu F12 N4 O6 |
| Title of publication | Solvent-controlled solid-state phase transitions of a heterospin Cu(II) complex with imidazolyl-substituted nitronyl nitroxide. |
| Authors of publication | Smirnova, Kristina A.; Golomolzina, Irina V.; Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Chernavin, Platon A.; Bogomyakov, Artem S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 31 |
| Pages of publication | 13119 - 13128 |
| a | 22.7207 ± 0.0004 Å |
| b | 45.4461 ± 0.0007 Å |
| c | 12.8963 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13316.3 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294575 (current) | 2024-09-06 | cif/ Updating files of 7716620, 7716621, 7716622, 7716623, 7716624, 7716625, 7716626, 7716627, 7716628, 7716629, 7716630, 7716631, 7716632 Original log message: Adding full bibliography for 7716620--7716632.cif. |
7716626.cif |
| 293397 | 2024-07-13 | cif/ Adding structures of 7716620, 7716621, 7716622, 7716623, 7716624, 7716625, 7716626, 7716627, 7716628, 7716629, 7716630, 7716631, 7716632 via cif-deposit CGI script. |
7716626.cif |
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Users of the data should acknowledge the original authors of the
structural data.