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Information card for entry 7250589
Preview
| Coordinates | 7250589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H6 Fe N6 Na2 O3 |
|---|---|
| Calculated formula | C6 H6 Fe N6 Na2 O3 |
| Title of publication | Controlled Microcrystallization for In-situ Photocrystallography: Optimizing Crystal Size and Habit |
| Authors of publication | Lewis, Sam George G.; Coulson, Ben A.; Harris, Kenneth D. M.; Warren, Anna J.; Warren, Mark R.; Hatcher, Lauren E. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 12.937 ± 0.0004 Å |
| b | 7.8904 ± 0.0002 Å |
| c | 24.4181 ± 0.0009 Å |
| α | 90° |
| β | 104.462 ± 0.004° |
| γ | 90° |
| Cell volume | 2413.57 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300193 (current) | 2025-06-26 | cif/ Adding structures of 7250589 via cif-deposit CGI script. |
7250589.cif |
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Users of the data should acknowledge the original authors of the
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