Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7235748
Preview
| Coordinates | 7235748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H8 N O4 Zn |
|---|---|
| Calculated formula | C22 H3 N O4 Zn |
| Title of publication | Structural stability of BTTB-based metal‒organic frameworks under humid conditions |
| Authors of publication | Karra, Jagadeswara R.; Jasuja, Himanshu; Huang, You-Gui; Walton, Krista S. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2015 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 1624 |
| a | 30.947 ± 0.008 Å |
| b | 11.625 ± 0.003 Å |
| c | 13.967 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5025 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 74 |
| Hermann-Mauguin space group symbol | I m m a |
| Hall space group symbol | -I 2b 2 |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1667 |
| Weighted residual factors for all reflections included in the refinement | 0.1724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233293 (current) | 2019-11-23 | cif/ Adding structures of 7235746, 7235747, 7235748, 7235749, 7235750 via cif-deposit CGI script. |
7235748.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.