Information card for entry 1504966

Structure parameters

• Formula: C52 H48 Cl4 Hg2 N4 O4 S2
• Calculated formula: C52 H48 Cl4 Hg2 N4 O4 S2
• Title of publication: Hg2+ selective fluorescent and colorimetric sensor: its crystal structure and application to bioimaging.
• Authors of publication: Chen, Xiaoqiang; Nam, Seong-Won; Jou, Min Jung; Kim, Youngmee; Kim, Sung-Jin; Park, Sungsu; Yoon, Juyoung
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 22
• Pages of publication: 5235 - 5238
• a: 24.754 ± 0.005 Å
• b: 15.233 ± 0.003 Å
• c: 18.813 ± 0.004 Å
• α: 90°
• β: 121.63 ± 0.03°
• γ: 90°
• Cell volume: 6040 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No