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Information card for entry 1573253
Preview
| Coordinates | 1573253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H40 B2 Cu F8 N10 O2 |
|---|---|
| Calculated formula | C27 H40 B2 Cu F8 N10 O2 |
| a | 12.4491 ± 0.0004 Å |
| b | 13.8403 ± 0.0003 Å |
| c | 19.8972 ± 0.0006 Å |
| α | 90° |
| β | 97.153 ± 0.003° |
| γ | 90° |
| Cell volume | 3401.59 ± 0.17 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.1054 |
| Residual factor for significantly intense reflections | 0.0692 |
| Weighted residual factors for significantly intense reflections | 0.1582 |
| Weighted residual factors for all reflections included in the refinement | 0.1777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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 |
|---|---|---|---|
| 296054 (current) | 2024-11-22 | cif/ Adding structures of 1573253 via cif-deposit CGI script. |
1573253.cif |
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Users of the data should acknowledge the original authors of the
structural data.