Information card for entry 7231796

Structure parameters

• Formula: C26 H27 Hg N6 S3
• Calculated formula: C26 H27 Hg N6 S3
• Title of publication: Rational molecular design: functional quinoline derivatives for PA detection, gaseous acid/base switching and anion-controlled fluorescence
• Authors of publication: Ma, Yuqing; Zhang, Yuyang; Kong, Lin; Yang, Jiaxiang
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 94
• a: 11.226 ± 0.005 Å
• b: 11.535 ± 0.005 Å
• c: 11.969 ± 0.005 Å
• α: 108.012 ± 0.005°
• β: 100.682 ± 0.005°
• γ: 90.099 ± 0.005°
• Cell volume: 1445.5 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No