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CIF Information Card
Information card for 7205888
7205887 << 7205888 >> 7205889Preview
|
Coordinates |
7205888.cif |
Structure parameters
| Formula | - C10 H9 N3 O S - |
| Calculated formula | - C10 H9 N3 O S - |
| Title of publication | C‒H⋯π synthon repetitivity in coordination compounds, established from single-crystal and powder diffraction |
| Authors of publication | Khavasi, Hamid Reza; Salimi, Ali Reza; Eshtiagh-Hosseini, Hossein; Amini, Mostafa M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 3710 |
| a | 7.637 ± 0.0015 Å |
| b | 14.692 ± 0.003 Å |
| c | 9.4326 ± 0.0019 Å |
| α | 90° |
| β | 98.76 ± 0.03° |
| γ | 90° |
| Cell volume | 1046 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0692 |
| Residual factor for observed reflections | 0.057 |
| Weighted residual factors for the observed reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.1496 |
| Goodness-of-fit parameter for observed reflections | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |