Information card for entry 1559141

Structure parameters

• Formula: C24 H23 F9 N3 O9 P S3
• Calculated formula: C24 H23 F9 N3 O9 P S3
• SMILES: [P+]1(c2c[n+](ccc2c2c1c[n+](cc2)C)C)(c1ccccc1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.C(#N)C
• Title of publication: Phosphoryl- and phosphonium-bridged viologens as stable two- and three-electron acceptors for organic electrodes
• Authors of publication: Bridges, Colin R.; Borys, Andryj M.; Béland, Vanessa A.; Gaffen, Joshua R.; Baumgartner, Thomas
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 9.5784 ± 0.0005 Å
• b: 11.1999 ± 0.0006 Å
• c: 15.6039 ± 0.0008 Å
• α: 102.532 ± 0.002°
• β: 90.622 ± 0.002°
• γ: 97.933 ± 0.002°
• Cell volume: 1616.98 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No