Information card for entry 7205998

Structure parameters

• Formula: C9 H8 Cl3 O9 Rb
• Calculated formula: C9 H8 Cl3 O9 Rb
• 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: 9.2357 ± 0.0004 Å
• b: 9.2416 ± 0.0004 Å
• c: 9.8443 ± 0.0004 Å
• α: 92.646 ± 0.003°
• β: 98.035 ± 0.003°
• γ: 118.378 ± 0.004°
• Cell volume: 725.87 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No