Information card for entry 7053082

Structure parameters

• Formula: C22 H20 Cl2 Hg N2 O8 S2
• Calculated formula: C22 H20 Cl2 Hg N2 O8 S2
• SMILES: [Hg]123[S](Cc4[n]2c2ccccc2cc4)CC[S]1Cc1[n]3c2ccccc2cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Thioether-tethered bisquinoline derivatives as fluorescent probes for mercury(ii) and iron(iii) ions
• Authors of publication: Mikata, Yuji; Nakagaki, Fumie; Nakanishi, Kaori
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 8
• Pages of publication: 2236
• a: 14.2333 ± 0.0007 Å
• b: 14.4741 ± 0.0007 Å
• c: 15.0775 ± 0.0009 Å
• α: 101.041 ± 0.0015°
• β: 113.072 ± 0.0008°
• γ: 111.103 ± 0.0003°
• Cell volume: 2457.8 ± 0.2 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No