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Information card for entry 7117733
Preview
| Coordinates | 7117733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H121 Cl6 Mg2 N14 O2 |
|---|---|
| Calculated formula | C96 H121 Cl6 Mg2 N14 O2 |
| Title of publication | Metal-coordination-driven mixed ligand binding in supramolecular bisporphyrin tweezers |
| Authors of publication | Sk Asif Ikbal; Avinash Dhamija; Sankar Prasad Rath |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 14107 |
| a | 14.137 ± 0.005 Å |
| b | 26.982 ± 0.005 Å |
| c | 25.473 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 105.387 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 9368 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0994 |
| Residual factor for significantly intense reflections | 0.0774 |
| Weighted residual factors for significantly intense reflections | 0.1896 |
| Weighted residual factors for all reflections included in the refinement | 0.2071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 153892 (current) | 2015-09-02 | cif/ Adding structures of 7117731, 7117732, 7117733, 7117734 via cif-deposit CGI script. |
7117733.cif |
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Users of the data should acknowledge the original authors of the
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