Information card for entry 2214753

Structure parameters

• Chemical name: Bis(7,10-dichloro-2-methoxybenzo[<i>b</i>][1,5]naphthyridinium) chloride perchlorate
• Formula: C26 H18 Cl6 N4 O6
• Calculated formula: C26 H18 Cl6 N4 O6
• SMILES: c1(OC)ccc2c(n1)c(Cl)c3c(cc(cc3)Cl)[nH+]2.[nH+]2c1ccc(nc1c(c1c2cc(cc1)Cl)Cl)OC.Cl(=O)(=O)(=O)[O-].[Cl-]
• Title of publication: Bis(7,10-dichloro-2-methoxybenzo[<i>b</i>][1,5]naphthyridinium) chloride perchlorate
• Authors of publication: Wei Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3430 - o3430
• a: 7.944 ± 0.001 Å
• b: 33.972 ± 0.005 Å
• c: 11.292 ± 0.002 Å
• α: 90°
• β: 107.511 ± 0.002°
• γ: 90°
• Cell volume: 2906.2 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1252
• 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: No
• Has Fobs: Yes