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CIF Information Card
Information card for 7101874
7101873 << 7101874 >> 7101875Preview
|
Coordinates |
7101874.cif |
Structure parameters
| Formula | - C48 H50 Cl F4 N2 O6 P2 Re - |
| Calculated formula | - C48 H42 Cl F4 N2 O6 P2 Re - |
| Title of publication | Template controlled synthesis of a coordinated [11]ane-P2C NHC macrocycle. |
| Authors of publication | Kaufhold, Oliver; Stasch, Andreas; Edwards, Peter G; Hahn, F Ekkehardt |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 18 |
| Pages of publication | 1822 - 1824 |
| a | 11.201 ± 0.005 Å |
| b | 11.8 ± 0.005 Å |
| c | 20.504 ± 0.005 Å |
| α | 92.239 ± 0.005° |
| β | 100.058 ± 0.005° |
| γ | 117.123 ± 0.005° |
| Cell volume | 2353.1 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0448 |
| Residual factor for observed reflections | 0.0415 |
| Weighted residual factors for the observed reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1005 |
| Goodness-of-fit parameter for observed reflections | 1.095 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |