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Information card for entry 4135167
Preview
| Coordinates | 4135167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H7 N3 O3 Zn |
|---|---|
| Calculated formula | C7 H7 N3 O3 Zn |
| Title of publication | Amino Acid Residues Determine the Response of Flexible Metal-Organic Frameworks to Guests. |
| Authors of publication | Yan, Yong; Carrington, Elliot J.; Pétuya, Rémi; Whitehead, George F. S.; Verma, Ajay; Hylton, Rebecca K.; Tang, Chiu C.; Berry, Neil G.; Darling, George R.; Dyer, Matthew S.; Antypov, Dmytro; Katsoulidis, Alexandros P.; Rosseinsky, Matthew J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 28.2634 ± 0.0009 Å |
| b | 28.2634 ± 0.0009 Å |
| c | 10.1714 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7036.6 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1626 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255520 (current) | 2020-08-22 | cif/ Adding structures of 4135167 via cif-deposit CGI script. |
4135167.cif |
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Users of the data should acknowledge the original authors of the
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