Information card for entry 2218567

Structure parameters

• Chemical name: 4,4'-(2,6-Dihydroxynaphthalene-1,5-diyldimethylene)dipyridinium bis(perchlorate)
• Formula: C22 H20 Cl2 N2 O10
• Calculated formula: C22 H20 Cl2 N2 O10
• SMILES: c1[nH+]ccc(c1)Cc1c(O)ccc2c(Cc3cc[nH+]cc3)c(ccc12)O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: 4,4'-(2,6-Dihydroxynaphthalene-1,5-diyldimethylene)dipyridinium bis(perchlorate)
• Authors of publication: Zhu, Wei-Feng; Xing, Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1173
• a: 4.9587 ± 0.0004 Å
• b: 13.0399 ± 0.0011 Å
• c: 17.8291 ± 0.0016 Å
• α: 90°
• β: 96.767 ± 0.002°
• γ: 90°
• Cell volume: 1144.82 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes