Information card for entry 7053423

Structure parameters

• Formula: C28.1 H35.3 Cl4 N6 O3.55 S0.55
• Calculated formula: C28.1 H30 Cl4 N6 O3.55 S0.55
• Title of publication: Viologen-based redox-switchable anion-binding receptors
• Authors of publication: Kannappan, Ramu; Bucher, Christophe; Saint-Aman, Eric; Moutet, Jean-Claude; Milet, Anne; Oltean, Mircea; Métay, Estelle; Pellet-Rostaing, Stéphane; Lemaire, Marc; Chaix, Carole
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1373
• a: 15.533 ± 0.005 Å
• b: 12.135 ± 0.002 Å
• c: 36.868 ± 0.007 Å
• α: 90°
• β: 99.88 ± 0.02°
• γ: 90°
• Cell volume: 6846 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections: 1.984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No