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Information card for entry 7042832
Preview
| Coordinates | 7042832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C184 H168 Cl8 N48 O56 Zn4 |
|---|---|
| Calculated formula | C184 H168 Cl8 N48 O56 Zn4 |
| Title of publication | A folded [2×2] metallo-supramolecular grid from a bis-tridentate (1,2,3-triazol-4-yl)-picolinamide (tzpa) ligand |
| Authors of publication | Barry, Dawn; Hawes, Chris Samuel; Byrne, Joseph Peter; la Cour Poulsen, Bjørn; Ruether, Manuel; O'Brien, John E; Gunnlaugsson, Thorfinnur |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 24.8871 ± 0.0008 Å |
| b | 24.8871 ± 0.0008 Å |
| c | 34.3819 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 21295 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1355 |
| Weighted residual factors for all reflections included in the refinement | 0.1479 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195840 (current) | 2017-04-28 | cif/ Adding structures of 7042830, 7042831, 7042832 via cif-deposit CGI script. |
7042832.cif |
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Users of the data should acknowledge the original authors of the
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