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Information card for entry 2023354
Preview
| Coordinates | 2023354.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Hexakis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) bis(perchlorate) |
|---|---|
| Formula | C54 H42 Cl2 N6 O14 Zn |
| Calculated formula | C54 H42 Cl2 N6 O14 Zn |
| Title of publication | Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide |
| Authors of publication | Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 2 |
| a | 12.8217 ± 0.0004 Å |
| b | 12.8217 ± 0.0004 Å |
| c | 26.5684 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3782.6 ± 0.2 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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