Information card for entry 2234120

Structure parameters

• Common name: Triprolidinium dichloranilate‒chloranilic acid‒methanol‒water (2/1/2/2)
• Chemical name: 2-[1-(4-Methylphenyl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis(2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate) 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione methanol monohydrate
• Formula: C35 H33 Cl5 N2 O12
• Calculated formula: C35 H33 Cl5 N2 O12
• Title of publication: Triprolidinium dichloranilate‒chloranilic acid‒methanol‒water (2/1/2/2)
• Authors of publication: Dayananda, A. S.; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1037 - o1038
• a: 9.1633 ± 0.0002 Å
• b: 32.372 ± 0.0007 Å
• c: 12.9834 ± 0.0004 Å
• α: 90°
• β: 106.685 ± 0.003°
• γ: 90°
• Cell volume: 3689.17 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes