Information card for entry 2202596

Structure parameters

• Chemical name: Bis(4,4'-bipyridinium) bis(8-hydroxyquinoline-5-sulfonate) bipyridine pentahydrate
• Formula: C48 H48 N8 O13 S2
• Calculated formula: C48 H48 N8 O13 S2
• SMILES: S(=O)(=O)([O-])c1ccc(O)c2ncccc12.S(=O)(=O)([O-])c1ccc(O)c2ncccc12.[nH+]1ccc(cc1)c1ccncc1.n1ccc(cc1)c1cc[nH+]cc1.n1ccc(cc1)c1ccncc1.O.O.O.O.O
• Title of publication: Bis(4,4'-bipyridinium) bis(8-hydroxyquinoline-5-sulfonate) bipyridine pentahydrate
• Authors of publication: Savarimuthu Baskar Raj; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1980 - o1983
• a: 9.449 ± 0.003 Å
• b: 14.33 ± 0.002 Å
• c: 19.449 ± 0.003 Å
• α: 111.08 ± 0.002°
• β: 93.73 ± 0.003°
• γ: 104.77 ± 0.002°
• Cell volume: 2339.9 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0993
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes