Information card for entry 7152100

Structure parameters

• Formula: C38 H54 N4 O2 S4
• Calculated formula: C38 H54 N4 O2 S4
• Title of publication: Dual-mode unsymmetrical squaraine-based sensor for selective detection of Hg(2+) in aqueous media.
• Authors of publication: Chen, Cheng; Dong, Haijun; Chen, Yaqing; Guo, Liangqia; Wang, Zhenyu; Sun, Jian-Jun; Fu, Nanyan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 8195 - 8201
• a: 11.207 ± 0.002 Å
• b: 12.542 ± 0.003 Å
• c: 15.394 ± 0.003 Å
• α: 70.9 ± 0.03°
• β: 85.07 ± 0.03°
• γ: 89.15 ± 0.03°
• Cell volume: 2036.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.186
• Residual factor for significantly intense reflections: 0.1262
• Weighted residual factors for significantly intense reflections: 0.2922
• Weighted residual factors for all reflections included in the refinement: 0.3362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No