Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1552288
Preview
| Coordinates | 1552288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 N O4 Zn |
|---|---|
| Calculated formula | C17.5 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 | 10.7054 ± 0.0007 Å |
| b | 16.2225 ± 0.0011 Å |
| c | 18.7784 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3261.2 ± 0.4 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 | 0.0931 |
| Residual factor for significantly intense reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.1882 |
| Weighted residual factors for all reflections included in the refinement | 0.207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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. |
1552288.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.