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CIF Information Card
Information card for 7101688
7101687 << 7101688 >> 7101689Preview
|
Coordinates |
7101688.cif |
Structure parameters
| Formula | - C44 H90 N6 Na2 Zn2 - |
| Calculated formula | - C44 H90 N6 Na2 Zn2 - |
| Title of publication | Dizincation and dimagnesiation of benzene using alkali-metal-mediated metallation. |
| Authors of publication | Armstrong, David R; Clegg, William; Dale, Sophie H; Graham, David V; Hevia, Eva; Hogg, Lorna M; Honeyman, Gordon W; Kennedy, Alan R; Mulvey, Robert E |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 6 |
| Pages of publication | 598 - 600 |
| a | 8.3869 ± 0.0017 Å |
| b | 21.158 ± 0.004 Å |
| c | 14.333 ± 0.003 Å |
| α | 90° |
| β | 90.72 ± 0.03° |
| γ | 90° |
| Cell volume | 2543.2 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0738 |
| Residual factor for observed reflections | 0.0367 |
| Weighted residual factors for the observed reflections | 0.0628 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for observed reflections | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |