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Information card for entry 1573877
Preview
| Coordinates | 1573877.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Co(II)-meso-tetraphenylporphyrin |
|---|---|
| Formula | C44 H28 Co N4 |
| Calculated formula | C44 H28 Co N4 |
| 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 | 9.6 ± 0.002 Å |
| b | 13.145 ± 0.002 Å |
| c | 13.28 ± 0.006 Å |
| α | 79.53 ± 0.01° |
| β | 71.78 ± 0.01° |
| γ | 69.39 ± 0.01° |
| Cell volume | 1485.1 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.188 |
| Residual factor for significantly intense reflections | 0.1612 |
| Weighted residual factors for significantly intense reflections | 0.4325 |
| Weighted residual factors for all reflections included in the refinement | 0.452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.589 |
| Diffraction radiation wavelength | 0.01969 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. |
1573877.cif |
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Users of the data should acknowledge the original authors of the
structural data.