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Information card for entry 7160658
Preview
| Coordinates | 7160658.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C142 H158 Cl0.5 N27 O21 Zn2 |
|---|---|
| Calculated formula | C182 H246 Cl3 N13 O28 Zn2 |
| Title of publication | Interplay between Molecular Recognition and Acid-Base Reactivity in Tailored Metal-Based Calix[6]arene Receptors |
| Authors of publication | Lepeintre, Martin; Višnjevac, Aleksandar; Jabin, Ivan; Colasson, Benoit |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 16.4168 ± 0.0007 Å |
| b | 24.6211 ± 0.0009 Å |
| c | 25.3326 ± 0.0006 Å |
| α | 98.772 ± 0.002° |
| β | 93.648 ± 0.003° |
| γ | 97.939 ± 0.003° |
| Cell volume | 9985.1 ± 0.6 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.136 |
| Residual factor for significantly intense reflections | 0.0779 |
| Weighted residual factors for significantly intense reflections | 0.1971 |
| Weighted residual factors for all reflections included in the refinement | 0.2321 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301686 (current) | 2025-08-08 | cif/ Adding structures of 7160658, 7160659, 7160660 via cif-deposit CGI script. |
7160658.cif |
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Users of the data should acknowledge the original authors of the
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