Information card for entry 2234682

Structure parameters

• Chemical name: (<i>E</i>)-2-[2-(4-Chlorobenzylidene)hydrazin-1-yl]- 4-{[3-(dimethylazaniumyl)propyl]amino}quinazolin-1-ium bis(perchlorate)
• Formula: C20 H25 Cl3 N6 O8
• Calculated formula: C20 H25 Cl3 N6 O8
• Title of publication: (<i>E</i>)-2-[2-(4-Chlorobenzylidene)hydrazin-1-yl]-4-{[3-(dimethylazaniumyl)propyl]amino}quinazolin-1-ium bis(perchlorate)
• Authors of publication: Jiang, Nan; Zuo, Jian; Wang, Haiyan; Han, Ming; Zhai, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1557 - o1558
• a: 10.4533 ± 0.0018 Å
• b: 10.5018 ± 0.0018 Å
• c: 12.626 ± 0.002 Å
• α: 104.745 ± 0.009°
• β: 91.146 ± 0.01°
• γ: 96.21 ± 0.01°
• Cell volume: 1330.9 ± 0.4 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 all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes