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Information card for entry 1571378
Preview
| Coordinates | 1571378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H7 F3 N4 O2 |
|---|---|
| Calculated formula | C7 H7 F3 N4 O2 |
| Title of publication | Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides |
| Authors of publication | Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana |
| Journal of publication | Crystals |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 4 |
| Pages of publication | 319 |
| a | 5.0459 ± 0.0009 Å |
| b | 9.373 ± 0.002 Å |
| c | 9.5454 ± 0.0018 Å |
| α | 90° |
| β | 96.187 ± 0.018° |
| γ | 90° |
| Cell volume | 448.82 ± 0.15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0932 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1881 |
| Weighted residual factors for all reflections included in the refinement | 0.2204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291083 (current) | 2024-04-05 | cif/ Adding structures of 1571378, 1571379, 1571380, 1571381, 1571382, 1571383, 1571384 via cif-deposit CGI script. |
1571378.cif |
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Users of the data should acknowledge the original authors of the
structural data.