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CIF Information Card
Information card for 7205997
7205996 << 7205997 >> 7205998Preview
|
Coordinates |
7205997.cif |
Structure parameters
| Formula | - C8 H9 Cl2 N4 Na O6 - |
| Calculated formula | - C8 H9 Cl2 N4 Na O6 - |
| Title of publication | Face-to-face π-stacking in the multicomponent crystals of chloranilic acid, alkali hydrogenchloranilates, and water |
| Authors of publication | Molčanov, Krešimir; Sabljić, Igor; Kojić-Prodić, Biserka |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 4211 |
| a | 9.8219 ± 0.0002 Å |
| b | 7.0831 ± 0.0002 Å |
| c | 19.955 ± 0.0004 Å |
| α | 90° |
| β | 90.85 ± 0.002° |
| γ | 90° |
| Cell volume | 1388.11 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for observed reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for observed reflections | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |