Information card for entry 7200744

Structure parameters

• Formula: C6 H5 Cl2 K O6
• Calculated formula: C6 H5 Cl2 K O6
• SMILES: [K+].O.O.ClC1=C([O-])C(=O)C(=C(O)C1=O)Cl
• Title of publication: π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates
• Authors of publication: Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1407
• a: 10.0492 ± 0.0008 Å
• b: 15.2833 ± 0.0014 Å
• c: 6.4546 ± 0.0011 Å
• α: 90°
• β: 99.156 ± 0.009°
• γ: 90°
• Cell volume: 978.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No