Information card for entry 7200746

Structure parameters

• Formula: C6 H9 Cl2 N O6
• Calculated formula: C6 H9 Cl2 N O6
• SMILES: ClC1C(=O)C(=C(Cl)C(=O)C=1[O-])O.O.[NH4+].O
• 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: 9.5958 ± 0.0006 Å
• b: 16.1908 ± 0.0014 Å
• c: 6.6678 ± 0.0009 Å
• α: 90°
• β: 98 ± 0.009°
• γ: 90°
• Cell volume: 1025.85 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No