Information card for entry 2240667

Structure parameters

• Chemical name: 2,2'-Bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide
• Formula: C19 H14 N6 O
• Calculated formula: C19 H14 N6 O
• Title of publication: Crystal structures of 2,2'-bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide and bis(2,2'-bipyridin-1-ium) 1,1,3,3-tetracyano-2-(dicyanomethylene)propane-1,3-diide
• Authors of publication: Setifi, Zouaoui; Valkonen, Arto; Fernandes, Manuel A.; Nummelin, Sami; Boughzala, Habib; Setifi, Fatima; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: 509 - 515
• a: 7.2514 ± 0.0001 Å
• b: 10.6647 ± 0.0002 Å
• c: 11.5619 ± 0.0002 Å
• α: 100.02 ± 0.001°
• β: 104.372 ± 0.001°
• γ: 92.59 ± 0.001°
• Cell volume: 849.27 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes