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Information card for entry 7235747
Preview
| Coordinates | 7235747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C106 H60 O28 Zn6 |
|---|---|
| Calculated formula | C106 H56 O28 Zn6 |
| 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 | 15.8225 ± 0.0005 Å |
| b | 16.8196 ± 0.0005 Å |
| c | 28.476 ± 0.0011 Å |
| α | 96.7 ± 0.002° |
| β | 100.221 ± 0.003° |
| γ | 109.597 ± 0.002° |
| Cell volume | 6898 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1205 |
| Residual factor for significantly intense reflections | 0.1009 |
| Weighted residual factors for significantly intense reflections | 0.3001 |
| Weighted residual factors for all reflections included in the refinement | 0.323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7235747.cif |
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Users of the data should acknowledge the original authors of the
structural data.