Information card for entry 2004732

Structure parameters

• Chemical name: 1,1'-bis(2-sulfonatoethyl)-4,4'-bipyridinium monohydrate
• Formula: C14 H18 N2 O7 S2
• Calculated formula: C14 H18 N2 O7 S2
• Title of publication: A Photochromic Zwitterionic Viologen: 4,4'-Bipyridinium-1,1'-bis(2-ethylsulfonate) Monohydrate
• Authors of publication: Vermeulen, L. A.; Robinson, P. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 984 - 986
• a: 25.016 ± 0.006 Å
• b: 5.881 ± 0.008 Å
• c: 11.299 ± 0.008 Å
• α: 90°
• β: 98.17 ± 0.03°
• γ: 90°
• Cell volume: 1645 ± 3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 1.48
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No