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Information card for entry 1552289
Preview
| Coordinates | 1552289.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H12 N O6 Zn |
|---|---|
| Calculated formula | C19 H12 N O6 Zn |
| Title of publication | CO2-induced single-crystal to single-crystal transformations of an interpenetrated flexible MOF explained by in situ crystallographic analysis and molecular modeling |
| Authors of publication | Hazra, Arpan; van Heerden, Dewald; Sanyal, Somananda; Lama, Prem; Esterhuysen, Catharine; Barbour, Len |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 16.556 ± 0.008 Å |
| b | 14.296 ± 0.007 Å |
| c | 16.325 ± 0.008 Å |
| α | 90° |
| β | 97.679 ± 0.012° |
| γ | 90° |
| Cell volume | 3829 ± 3 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.182 |
| Residual factor for significantly intense reflections | 0.1048 |
| Weighted residual factors for significantly intense reflections | 0.2707 |
| Weighted residual factors for all reflections included in the refinement | 0.3259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218052 (current) | 2019-09-07 | cif/ Adding structures of 1552287, 1552288, 1552289, 1552290 via cif-deposit CGI script. |
1552289.cif |
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Users of the data should acknowledge the original authors of the
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