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CIF Information Card
Information card for 7205995
7205994 << 7205995 >> 7205996Preview
|
Coordinates |
7205995.cif |
Structure parameters
| Formula | - C7 H4 Cl2 Cs2 N2 O5 - |
| Calculated formula | - C7 H4 Cl2 Cs2 N2 O5 - |
| 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 | 11.8722 ± 0.0004 Å |
| b | 12.9955 ± 0.0004 Å |
| c | 8.1575 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1258.58 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P b c n |
| Hall symmetry space group | -P 2n 2ab |
| Residual factor for observed reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.1652 |
| Goodness-of-fit parameter for observed reflections | 0.879 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |