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CIF Information Card
Information card for 7101689
7101688 << 7101689 >> 7101690Preview
|
Coordinates |
7101689.cif |
Structure parameters
| Formula | - C54 H108 Mg2 N8 Na2 - |
| Calculated formula | - C54 H108 Mg2 N8 Na2 - |
| 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 | 8.3042 ± 0.0003 Å |
| b | 21.9621 ± 0.0008 Å |
| c | 16.3052 ± 0.0006 Å |
| α | 90° |
| β | 91.458 ± 0.002° |
| γ | 90° |
| Cell volume | 2972.74 ± 0.19 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.1944 |
| Residual factor for observed reflections | 0.0684 |
| Weighted residual factors for the observed reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1471 |
| Goodness-of-fit parameter for observed reflections | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |