Information card for entry 1507817

Structure parameters

• Formula: C32 H22 Cl6 Hg2 I4 N4
• Calculated formula: C32 H22 Cl6 Hg2 I4 N4
• SMILES: [Hg]1(I)(I)[n]2c3ccccc3ccc2C=[N]1c1c2cccc([N]3[Hg](I)(I)[n]4c5ccccc5ccc4C=3)c2ccc1.ClC(Cl)Cl.ClC(Cl)Cl
• 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: 8.7014 ± 0.0015 Å
• b: 9.8508 ± 0.0018 Å
• c: 14.078 ± 0.003 Å
• α: 76.845 ± 0.003°
• β: 75.545 ± 0.003°
• γ: 65.076 ± 0.002°
• Cell volume: 1049.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No