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CIF Information Card
Information card for 7101873
7101872 << 7101873 >> 7101874Preview
|
Coordinates |
7101873.cif |
Structure parameters
| Formula | - C7 H6 Cl N2 O4 Re - |
| Calculated formula | - C7 H6 Cl N2 O4 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 | 8.8522 ± 0.0018 Å |
| b | 10.297 ± 0.002 Å |
| c | 12.389 ± 0.003 Å |
| α | 90° |
| β | 107.84 ± 0.03° |
| γ | 90° |
| Cell volume | 1075 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0312 |
| Residual factor for observed reflections | 0.0264 |
| Weighted residual factors for the observed reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.0619 |
| Goodness-of-fit parameter for observed reflections | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |