Information card for entry 2241362

Structure parameters

• Chemical name: Bis(4-acetylanilinium) tetrachloridomercurate(II)
• Formula: C16 H20 Cl4 Hg N2 O2
• Calculated formula: C16 H20 Cl4 Hg N2 O2
• SMILES: c1(ccc(cc1)[NH3+])C(=O)C.Cl[Hg](Cl)([Cl-])[Cl-].c1(ccc(cc1)[NH3+])C(=O)C
• Title of publication: Crystal structure of bis(4-acetylanilinium) tetrachloridomercurate(II)
• Authors of publication: Thairiyaraja, Manickam; Elangovan, Arumugam; Arivazhagan, Ganesh; Selvaraju, Kuthambalam; Thamotharan, Subbiah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m236 - m237
• a: 19.9231 ± 0.0006 Å
• b: 15.3515 ± 0.0006 Å
• c: 13.7587 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4208.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes