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Information card for entry 7112109
Preview
| Coordinates | 7112109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H115 B2 Cu8 F8 N6 O18 |
|---|---|
| Calculated formula | C51 H114.96 B2.01 Cu8 F8.04 N6 O18 |
| Title of publication | An unprecedented octanuclear copper core with C3i symmetry and a paramagnetic ground state |
| Authors of publication | Dmytro S. Nesterov; Julia Jezierska; Oksana V. Nesterova; Armando J. L. Pombeiro; Andrew Ozarowski |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3431 |
| a | 22.3369 ± 0.0013 Å |
| b | 22.3369 ± 0.0013 Å |
| c | 24.2189 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10464.8 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.1225 |
| Residual factor for significantly intense reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.1641 |
| Weighted residual factors for all reflections included in the refinement | 0.1816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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