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CIF Information Card
Information card for 7101777
7101776 << 7101777 >> 7101778Preview
|
Coordinates |
7101777.cif |
Structure parameters
| Formula | - C14 H17 N O2 Se - |
| Calculated formula | - C14 H17 N O2 Se - |
| Title of publication | Isoquinolin-1-ylidenes as electronically tuneable ligands. |
| Authors of publication | Gómez-Bujedo, Silvia; Alcarazo, Manuel; Pichon, Christophe; Alvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 11 |
| Pages of publication | 1180 - 1182 |
| a | 10.4152 ± 0.0004 Å |
| b | 11.5802 ± 0.0005 Å |
| c | 11.8762 ± 0.0005 Å |
| α | 80.836 ± 0.001° |
| β | 89.391 ± 0.001° |
| γ | 79.542 ± 0.001° |
| Cell volume | 1390.37 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0279 |
| Residual factor for observed reflections | 0.0225 |
| Weighted residual factors for the observed reflections | 0.0584 |
| Weighted residual factors for all reflections included in the refinement | 0.0614 |
| Goodness-of-fit parameter for observed reflections | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |