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Information card for entry 1551056
Preview
| Coordinates | 1551056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96.38 H67.56 Mg3 N2.79 O22.79 |
|---|---|
| Calculated formula | C88 H48 Mg3 O20 |
| Title of publication | Temperature-dependent Interchromophoric Interaction in a Fluorescent Pyrene-based Metal‒organic Framework |
| Authors of publication | Gladysiak, Andrzej; Nguyen, Tu Ngoc; Bounds, Richard; Zacharia, Anna; Itskos, Grigorios; Reimer, Jeffrey; Stylianou, Kyriakos |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.4034 ± 0.0005 Å |
| b | 14.6274 ± 0.0005 Å |
| c | 16.1091 ± 0.0007 Å |
| α | 80.439 ± 0.003° |
| β | 77.037 ± 0.004° |
| γ | 75.856 ± 0.003° |
| Cell volume | 2521.5 ± 0.18 Å3 |
| Cell temperature | 350 K |
| Ambient diffraction temperature | 350 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.112 |
| Residual factor for significantly intense reflections | 0.1059 |
| Weighted residual factors for significantly intense reflections | 0.3011 |
| Weighted residual factors for all reflections included in the refinement | 0.3093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.238 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7142 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215157 (current) | 2019-05-15 | cif/ Adding structures of 1551055, 1551056 via cif-deposit CGI script. |
1551056.cif |
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Users of the data should acknowledge the original authors of the
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