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Information card for entry 7120827
Preview
| Coordinates | 7120827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H55 Cd N14 O15.5 |
|---|---|
| Calculated formula | C78 H52 Cd N14 O15.5 |
| Title of publication | Supramolecular coordination polymers using a close to ‘V-shaped’ fluorescent 4-amino-1,8-naphthalimide Tröger’s base scaffold |
| Authors of publication | Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; Hawes, Chris Samuel; Savyasachi, A. J.; Blasco, Salvador; Kitchen, Jonathan A. |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 17.9643 ± 0.0008 Å |
| b | 26.5902 ± 0.0013 Å |
| c | 19.4124 ± 0.0008 Å |
| α | 90° |
| β | 115.54 ± 0.001° |
| γ | 90° |
| Cell volume | 8366.7 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 5 |
| 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 | 0.1624 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1757 |
| Weighted residual factors for all reflections included in the refinement | 0.2214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202336 (current) | 2017-10-26 | cif/ Adding structures of 7120826, 7120827 via cif-deposit CGI script. |
7120827.cif |
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Users of the data should acknowledge the original authors of the
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