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Information card for entry 1552287
Preview
| Coordinates | 1552287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 N O4 Zn |
|---|---|
| Calculated formula | C18 H10 N O4 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 | 10.7494 ± 0.0011 Å |
| b | 16.2516 ± 0.0015 Å |
| c | 18.7137 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3269.2 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 69 |
| Hermann-Mauguin space group symbol | F m m m |
| Hall space group symbol | -F 2 2 |
| Residual factor for all reflections | 0.0903 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.1782 |
| Weighted residual factors for all reflections included in the refinement | 0.1945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| 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. |
1552287.cif |
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Users of the data should acknowledge the original authors of the
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