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CIF Information Card
Information card for 7205889
7205888 << 7205889 >> 7205890Preview
|
Coordinates |
7205889.cif |
Structure parameters
| Formula | - C20 H18 Cl2 Hg N6 O2 S2 - |
| Calculated formula | - C20 H18 Cl2 Hg N6 O2 S2 - |
| 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 | 7.753 ± 0.0016 Å |
| b | 33.697 ± 0.007 Å |
| c | 9.3858 ± 0.0019 Å |
| α | 90° |
| β | 93.8 ± 0.03° |
| γ | 90° |
| Cell volume | 2446.7 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0727 |
| Residual factor for observed reflections | 0.0565 |
| Weighted residual factors for the observed reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for observed reflections | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |