Information card for entry 2203270

Structure parameters

• Chemical name: 4,4'-Bipyridinium 1,5-naphthalenedisulfonate dihydrate
• Formula: C20 H20 N2 O8 S2
• Calculated formula: C20 H20 N2 O8 S2
• SMILES: c1(cccc2c(cccc12)S(=O)(=O)[O-])S(=O)(=O)[O-].c1cc(cc[nH+]1)c1cc[nH+]cc1.O.O
• Title of publication: 4,4'-Bipyridinium 1,5-naphthalenedisulfonate dihydrate
• Authors of publication: Zhang, Xiu-Lian; Chen, Xiao-Ming; Ng^a^, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o455 - o456
• a: 9.8121 ± 0.0009 Å
• b: 6.6775 ± 0.0006 Å
• c: 15.647 ± 0.001 Å
• α: 90°
• β: 97.957 ± 0.002°
• γ: 90°
• Cell volume: 1015.33 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes