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Information card for entry 7701344
Preview
| Coordinates | 7701344.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H22 Cu F12 N4 O6 |
|---|---|
| Calculated formula | C34 H22 Cu F12 N4 O6 |
| Title of publication | Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes. |
| Authors of publication | Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| a | 11.3294 ± 0.0005 Å |
| b | 22.7479 ± 0.0006 Å |
| c | 7.3599 ± 0.0003 Å |
| α | 90° |
| β | 103.836 ± 0.004° |
| γ | 90° |
| Cell volume | 1841.76 ± 0.12 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219233 (current) | 2019-10-10 | cif/ Adding structures of 7701337, 7701338, 7701339, 7701340, 7701341, 7701342, 7701343, 7701344, 7701345, 7701346 via cif-deposit CGI script. |
7701344.cif |
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