Information card for entry 4513479

Structure parameters

• Formula: C78 H66 Bi2 Cl12 N6 O6
• Calculated formula: C78 H66 Bi2 Cl12 N6 O6
• SMILES: c1ccc(cc1)C(=O)C[n+]1ccc(cc1)c1cc[n+](cc1)CC(=O)c1ccccc1.[n+]1(ccc(cc1)c1cc[n+](cc1)CC(=O)c1ccccc1)CC(=O)c1ccccc1.[Bi]([Cl-])(Cl)(Cl)([Cl-])([Cl-])Cl.c1ccc(cc1)C(=O)C[n+]1ccc(cc1)c1cc[n+](cc1)CC(=O)c1ccccc1.[Bi]([Cl-])(Cl)(Cl)(Cl)([Cl-])[Cl-]
• Title of publication: High Sensitivity Viologen for a Facile and Versatile Sensor of Base and Solvent Polarity in Solution and Solid State in Air Atmosphere.
• Authors of publication: Shi, Wei; Xing, Feifei; Bai, Yue-Ling; Hu, Meiling; Zhao, Yongmei; Li, Ming-Xing; Zhu, Shourong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2015
• Journal volume: 7
• Journal issue: 26
• Pages of publication: 14493 - 14500
• a: 11.585 ± 0.003 Å
• b: 13.311 ± 0.003 Å
• c: 14.923 ± 0.004 Å
• α: 106.874 ± 0.003°
• β: 107.017 ± 0.003°
• γ: 99.008 ± 0.003°
• Cell volume: 2031.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No