Information card for entry 1503281

Structure parameters

• Formula: C20 H14 Cl6 Hg3 N4
• Calculated formula: C20 H14 Cl6 Hg3 N4
• SMILES: [Hg]([Cl][Hg]1(Cl)[n]2c3ccccc3ccc2C=[N]1[N]1=Cc2[n]([Hg]1([Cl][Hg](Cl)(Cl)[Cl][Hg]1(Cl)[n]3c4ccccc4ccc3C=[N]1[N]1[Hg](Cl)[n]3c4ccccc4ccc3C=1)Cl)c1ccccc1cc2)(Cl)(Cl)Cl
• Title of publication: Azine-based receptor for recognition of Hg2+ ion: crystallographic evidence and imaging application in live cells.
• Authors of publication: Suresh, Moorthy; Mandal, Amal Kumar; Saha, Sukdeb; Suresh, E.; Mandoli, Amit; Di Liddo, Rosa; Parnigotto, Pier Paolo; Das, Amitava
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 5406 - 5409
• a: 7.6363 ± 0.0009 Å
• b: 8.386 ± 0.001 Å
• c: 10.5061 ± 0.0013 Å
• α: 97.126 ± 0.002°
• β: 97.259 ± 0.002°
• γ: 99.746 ± 0.002°
• Cell volume: 650.45 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No