Information card for entry 7239513

Structure parameters

• Formula: C19 H18 Cl Hg N O3
• Calculated formula: C19 H4 Cl Hg N O3
• Title of publication: Rational design of a reusable chemodosimeter for the selective detection of Hg2+
• Authors of publication: Gong, Wei-tao; Gao, Bei; Zhao, Jian-zhang; Ning, Gui-ling
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 18
• Pages of publication: 5501
• a: 23.616 ± 0.003 Å
• b: 23.616 ± 0.003 Å
• c: 6.9313 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3865.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No