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CIF Information Card
Information card for 7101845
7101844 << 7101845 >> 7101846Preview
|
Coordinates |
7101845.cif |
Structure parameters
| Formula | - C26 H50 Li2 N4 - |
| Calculated formula | - C26 H50 Li2 N4 - |
| Title of publication | The hexamethylpentalene dianion and other reagents for organometallic pentalene chemistry. |
| Authors of publication | Ashley, Andrew E; Cowley, Andrew R; O'Hare, Dermot |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 15 |
| Pages of publication | 1512 - 1514 |
| a | 10.8575 ± 0.0002 Å |
| b | 9.3133 ± 0.0002 Å |
| c | 14.1063 ± 0.0003 Å |
| α | 90° |
| β | 90.8093 ± 0.0007° |
| γ | 90° |
| Cell volume | 1426.27 ± 0.05 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Sample thermal history | The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis. |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0934 |
| Residual factor for observed reflections | 0.0709 |
| Weighted residual factors for all reflections | 0.1117 |
| Weighted residual factors for the observed reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for observed reflections | 1.0173 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |