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Information card for entry 1573876
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Coordinates | 1573876.cif |
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Original paper (by DOI) | HTML |
Common name | Zn(II)-histidine |
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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
structural data.