Information card for entry 2240153

Structure parameters

• Common name: Bis-[1-(3-chlorophenyl)piperazinium]dipicrate picric acid
• Chemical name: 1-(3-Chlorophenyl)piperazin-1-ium picrate‒picric acid (2/1)
• Formula: C38 H35 Cl2 N13 O21
• Calculated formula: C38 H35 Cl2 N13 O21
• Title of publication: Crystal structure of 1-(3-chlorophenyl)piperazin-1-ium picrate‒picric acid (2/1)
• Authors of publication: Kavitha, Channappa N.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1210 - o1211
• a: 11.2213 ± 0.0006 Å
• b: 14.6239 ± 0.0007 Å
• c: 14.1804 ± 0.0008 Å
• α: 90°
• β: 104.405 ± 0.005°
• γ: 90°
• Cell volume: 2253.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes