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CIF Information Card
Information card for 7205890
7205889 << 7205890 >> 7205891Preview
|
Coordinates |
7205890.cif |
Structure parameters
| Common name | from C:/gsas/MyWork/TTT4-EDITED.CIF |
| Formula | - C20 H18 Br2 Hg N6 O2 S2 - |
| Calculated formula | - C20 H18 Br2 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 | 7.798 ± 0.005 Å |
| b | 34.458 ± 0.024 Å |
| c | 9.449 ± 0.007 Å |
| α | 90° |
| β | 94.53 ± 0.005° |
| γ | 90° |
| Cell volume | 2531 ± 3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| RFsqd | 0.08258 |
| Goodness-of-fit parameter for all reflections | 1.4 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |