Information card for entry 1507177

Structure parameters

• Formula: C56 H62 F12 Hg2 N6 O16 S4
• Calculated formula: C56 H61 F12 Hg2 N6 O16 S4
• Title of publication: Hg(2+)-sensing system based on structures of complexes.
• Authors of publication: Ikeda, Mari; Matsu-Ura, Aya; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1564 - 1567
• a: 17.5092 ± 0.001 Å
• b: 10.496 ± 0.0006 Å
• c: 18.0138 ± 0.0011 Å
• α: 90°
• β: 100.221 ± 0.001°
• γ: 90°
• Cell volume: 3258 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No