Information card for entry 1507818

Structure parameters

• Formula: C22 H16 Hg2 I4 N4
• Calculated formula: C22 H16 Hg2 I4 N4
• SMILES: [Hg]1(I)(I)[n]2ccccc2C=[N]1c1cccc2c1cccc2[N]1=Cc2[n]([Hg]1(I)I)cccc2
• Title of publication: Recognition of Hg2+ ion through restricted imine isomerization: crystallographic evidence and imaging in live cells.
• Authors of publication: Mandal, Amal Kumar; Suresh, Moorthy; Das, Priyadip; Suresh, E.; Baidya, Mithu; Ghosh, Sudip K.; Das, Amitava
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 2980 - 2983
• a: 18.516 ± 0.002 Å
• b: 12.5559 ± 0.0016 Å
• c: 15.301 ± 0.002 Å
• α: 90°
• β: 127.05 ± 0.002°
• γ: 90°
• Cell volume: 2839.1 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No