Information card for entry 2222333

Structure parameters

• Chemical name: 2,2',4,4'-Tetramethyl-7,7'-diazenediylbis(1,8-naphthyridin-1-ium) bis(perchlorate)
• Formula: C20 H20 Cl2 N6 O8
• Calculated formula: C20 H20 Cl2 N6 O8
• SMILES: Cc1cc(c2c([nH+]1)nc(N=Nc1ccc3c(cc(C)[nH+]c3n1)C)cc2)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: 2,2',4,4'-Tetramethyl-7,7'-diazenediylbis(1,8-naphthyridin-1-ium) bis(perchlorate)
• Authors of publication: Mo, Juan; Yuan, Li; Liu, Jian-Hua; Chen, Wen; Li, Xin-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1500
• a: 8.2008 ± 0.0016 Å
• b: 13.042 ± 0.003 Å
• c: 11.133 ± 0.002 Å
• α: 90°
• β: 102.63 ± 0.03°
• γ: 90°
• Cell volume: 1161.9 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes