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Information card for entry 1573876
Preview
| Coordinates | 1573876.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Zn(II)-histidine |
|---|---|
| Formula | C12 H16 N6 O4 Zn |
| Calculated formula | C12 H16 N6 O4 Zn |
| Title of publication | Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination. |
| Authors of publication | Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A. |
| Journal of publication | IUCrJ |
| Year of publication | 2025 |
| Journal volume | 12 |
| Journal issue | 2 |
| a | 7.09 ± 0.002 Å |
| b | 7.09 ± 0.0019 Å |
| c | 29.07 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1461.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.1885 |
| Residual factor for significantly intense reflections | 0.1654 |
| Weighted residual factors for significantly intense reflections | 0.4 |
| Weighted residual factors for all reflections included in the refinement | 0.419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.191 |
| Diffraction radiation wavelength | 0.0251 Å |
| Diffraction radiation type | Electron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297679 (current) | 2025-02-11 | cif/ Adding structures of 1573873, 1573874, 1573875, 1573876, 1573877 via cif-deposit CGI script. |
1573876.cif |
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Users of the data should acknowledge the original authors of the
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