Information card for entry 7715000

Structure parameters

• Formula: C20 H18 Cd Cl4 N2 S2
• Calculated formula: C20 H18 Cd Cl4 N2 S2
• SMILES: s1ccc(c1)C[n+]1ccc(c2cc[n+](cc2)Cc2cscc2)cc1.[Cd](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: A series of viologen complexes containing thiophene and Br^- dual fluorescent chromophores for continuous visual sensing of pH and Hg².
• Authors of publication: Li, Kai; Ying, Jun; Liu, Tao; Tian, Aixiang; Wang, Xiuli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2741 - 2748
• a: 8.7055 ± 0.0007 Å
• b: 15.5617 ± 0.0012 Å
• c: 17.0736 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2313 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No