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Information card for entry 7120673
Preview
| Coordinates | 7120673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H33 N7 O8 Zn |
|---|---|
| Calculated formula | C27 H33 N7 O8 Zn |
| Title of publication | Assembly of the active center of organophosphorus hydrolase in metal‒organic frameworks via rational combination of functional ligands |
| Authors of publication | Xia, Mengfan; Zhuo, Caixia; Ma, Xuejuan; Zhang, Xiaohong; Sun, Huaming; Zhai, Quan-Guo; Zhang, Yaodong |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 25.469 ± 0.003 Å |
| b | 12.0512 ± 0.001 Å |
| c | 21.523 ± 0.0017 Å |
| α | 90° |
| β | 116.159 ± 0.003° |
| γ | 90° |
| Cell volume | 5929.5 ± 1 Å3 |
| Cell temperature | 123 ± 4 K |
| Ambient diffraction temperature | 123 ± 4 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0944 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.1769 |
| Weighted residual factors for all reflections included in the refinement | 0.1988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201002 (current) | 2017-09-19 | cif/ Adding structures of 7120672, 7120673 via cif-deposit CGI script. |
7120673.cif |
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Users of the data should acknowledge the original authors of the
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